36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane

C66H129N9O10 — CID 157336763

IUPAC36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane
SMILESCCC.CCC(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)CN(CCNC(=O)CN(CCNC(=O)COCCOCCN)C(=O)CC)C(=O)CC)CC(N)=O
InChIInChI=1S/C63H121N9O10.C3H8/c1-4-61(78)70(52-56(65)73)46-43-67-57(74)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-66-58(75)53-71(62(79)5-2)47-44-68-59(76)54-72(63(80)6-3)48-45-69-60(77)55-82-51-50-81-49-41-64;1-3-2/h4-55,64H2,1-3H3,(H2,65,73)(H,66,75)(H,67,74)(H,68,76)(H,69,77);3H2,1-2H3
InChIKeyBFXSCHYLHZWXJU-UHFFFAOYSA-N
MW1208.81 g/mol
LogP10.32
Rot. Bonds61

About 36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane

36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane (PubChem CID 157336763) has the molecular formula C66H129N9O10 and a molecular weight of 1208.81 g/mol. Its IUPAC name is 36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane.

Molecular Properties

Compound Name36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane
PubChem CID157336763
Molecular FormulaC66H129N9O10
Molecular Weight1208.81 g/mol
Exact Mass1207.99
IUPAC Name36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane
SMILESCCC.CCC(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)CN(CCNC(=O)CN(CCNC(=O)COCCOCCN)C(=O)CC)C(=O)CC)CC(N)=O
InChIInChI=1S/C63H121N9O10.C3H8/c1-4-61(78)70(52-56(65)73)46-43-67-57(74)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-66-58(75)53-71(62(79)5-2)47-44-68-59(76)54-72(63(80)6-3)48-45-69-60(77)55-82-51-50-81-49-41-64;1-3-2/h4-55,64H2,1-3H3,(H2,65,73)(H,66,75)(H,67,74)(H,68,76)(H,69,77);3H2,1-2H3
InChIKeyBFXSCHYLHZWXJU-UHFFFAOYSA-N
XLogP10.32
TPSA264.90 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds61
Heavy Atoms85
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001208.81
LogP ≤ 510.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane with MolForge

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Related Compounds

2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine
CID 171093333
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
N-[3-(2-aminoethoxy)propyl]dodecanamide
CID 106307810
4-[[6-[2-[2-[6-(3-carboxypropanoylamino)hexanoylamino]ethyl-[2-[2-(dipropylcarbamoyloxy)ethoxy]ethoxycarbonyl]amino]ethylamino]-6-oxohexyl]amino]-4-oxobutanoic acid;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;bis(2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate);hydrofluoride
CID 159263105
2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate
CID 161363674
2-(2-aminoethoxy)-N-(3-ethoxypropyl)acetamide
CID 79463091
5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid
CID 79479657
2-(2-aminoethoxy)-N-butylacetamide
CID 62343440
2-[2-[bis[2-(6-aminohexanoylamino)ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-(6-aminohexanoylamino)ethyl]carbamate;2-[2-[bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamoyloxy]ethoxy]ethyl N,N-bis[2-[6-[(2-bromoacetyl)amino]hexanoylamino]ethyl]carbamate;2-(2-carbonochloridoyloxyethoxy)ethyl carbonochloridate;2-[2-(dipropylcarbamoyloxy)ethoxy]ethyl N,N-dipropylcarbamate;methane
CID 160554065
2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]-N,N-bis[2-[(2-chloroacetyl)amino]ethyl]acetamide
CID 140918425
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865

Frequently Asked Questions

What is the IUPAC name of 36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane?
The IUPAC name of 36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane (CID 157336763) is 36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane.
What is the SMILES notation for 36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane?
The canonical SMILES for 36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane is CCC.CCC(=O)N(CCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCNC(=O)CN(CCNC(=O)CN(CCNC(=O)COCCOCCN)C(=O)CC)C(=O)CC)CC(N)=O.
What is the InChIKey of 36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane?
The InChIKey is BFXSCHYLHZWXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H121N9O10.C3H8/c1-4-61(78)70(52-56(65)73)46-43-67-57(74)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-66-58(75)53-71(62(79)5-2)47-44-68-59(76)54-72(63(80)6-3)48-45-69-60(77)55-82-51-50-81-49-41-64;1-3-2/h4-55,64H2,1-3H3,(H2,65,73)(H,66,75)(H,67,74)(H,68,76)(H,69,77);3H2,1-2H3.
What are the key properties of 36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane?
36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane has a molecular weight of 1208.81 g/mol, XLogP of 10.32, 61 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 36-[[2-[2-[[2-[2-[[2-[2-(2-aminoethoxy)ethoxy]acetyl]amino]ethyl-propanoylamino]acetyl]amino]ethyl-propanoylamino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-propanoylamino]ethyl]hexatriacontanamide;propane is sourced from PubChem (CID 157336763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).