N'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide

C18H38N4O5 — CID 170237256

IUPACN'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide
SMILESCNC(=O)CCCC(=O)NCCN(C)OCCC(C)(C)OCCOCCN
InChIInChI=1S/C18H38N4O5/c1-18(2,26-15-14-25-13-9-19)8-12-27-22(4)11-10-21-17(24)7-5-6-16(23)20-3/h5-15,19H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyPFUJUOFXRJYLKJ-UHFFFAOYSA-N
MW390.53 g/mol
LogP0.04
Rot. Bonds17

About N'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide

N'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide (PubChem CID 170237256) has the molecular formula C18H38N4O5 and a molecular weight of 390.53 g/mol. Its IUPAC name is N'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide.

Molecular Properties

Compound NameN'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide
PubChem CID170237256
Molecular FormulaC18H38N4O5
Molecular Weight390.53 g/mol
Exact Mass390.28
IUPAC NameN'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide
SMILESCNC(=O)CCCC(=O)NCCN(C)OCCC(C)(C)OCCOCCN
InChIInChI=1S/C18H38N4O5/c1-18(2,26-15-14-25-13-9-19)8-12-27-22(4)11-10-21-17(24)7-5-6-16(23)20-3/h5-15,19H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyPFUJUOFXRJYLKJ-UHFFFAOYSA-N
XLogP0.04
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
N-methyl-N'-[2-(2-propoxyethoxy)ethyl]pentanediamide
CID 176584959
N'-[3-[4-(5-amino-2-methylpentan-2-yl)oxy-2-methylbutan-2-yl]oxypropyl]-N-(7-hydroxyheptyl)butanediamide
CID 170149149
4-[iodo(methyl)amino]-N-[2-[2-[2-[2-[3-(methylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 155261158
4-[3-(3-aminopropoxy)-3-methylbutoxy]-4-methyl-N-[2-[2-methyl-4-[2-methyl-5-[2-[2-methyl-4-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxybutan-2-yl]oxyethylamino]-5-oxopentan-2-yl]oxybutan-2-yl]oxyethyl]pentanamide
CID 138710128
N-[2-[2-methyl-4-[2-methyl-4-(methylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]-5-oxohexanamide
CID 144763173
N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide
CID 166464920
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]hexadecanamide
CID 87320335
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
4-amino-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 145188206
3-[3-(3-formamido-3-methylbutoxy)-3-methylbutoxy]-N-methylpropanamide
CID 167281122
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide?
The IUPAC name of N'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide (CID 170237256) is N'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide.
What is the SMILES notation for N'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide?
The canonical SMILES for N'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide is CNC(=O)CCCC(=O)NCCN(C)OCCC(C)(C)OCCOCCN.
What is the InChIKey of N'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide?
The InChIKey is PFUJUOFXRJYLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O5/c1-18(2,26-15-14-25-13-9-19)8-12-27-22(4)11-10-21-17(24)7-5-6-16(23)20-3/h5-15,19H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide?
N'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide has a molecular weight of 390.53 g/mol, XLogP of 0.04, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[3-[2-(2-aminoethoxy)ethoxy]-3-methylbutoxy]-methylamino]ethyl]-N-methylpentanediamide is sourced from PubChem (CID 170237256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).