N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one

C32H64N5O11P — CID 156738180

IUPACN-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one
SMILESCC.CCCCCC(=O)N1CC[C@H](OC)C1.CCCCP(=O)(OCC)OCCOCCOCCNC(=O)CNC(=O)CNC(=O)CNC=O
InChIInChI=1S/C19H37N4O9P.C11H21NO2.C2H6/c1-3-5-12-33(28,31-4-2)32-11-10-30-9-8-29-7-6-21-18(26)14-23-19(27)15-22-17(25)13-20-16-24;1-3-4-5-6-11(13)12-8-7-10(9-12)14-2;1-2/h16H,3-15H2,1-2H3,(H,20,24)(H,21,26)(H,22,25)(H,23,27);10H,3-9H2,1-2H3;1-2H3/t;10-;/m.0./s1
InChIKeyCRAJVCVWKQWDFA-RBPNCNDUSA-N
MW725.86 g/mol
LogP2.00
Rot. Bonds27

About N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one

N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one (PubChem CID 156738180) has the molecular formula C32H64N5O11P and a molecular weight of 725.86 g/mol. Its IUPAC name is N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one.

Molecular Properties

Compound NameN-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one
PubChem CID156738180
Molecular FormulaC32H64N5O11P
Molecular Weight725.86 g/mol
Exact Mass725.43
IUPAC NameN-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one
SMILESCC.CCCCCC(=O)N1CC[C@H](OC)C1.CCCCP(=O)(OCC)OCCOCCOCCNC(=O)CNC(=O)CNC(=O)CNC=O
InChIInChI=1S/C19H37N4O9P.C11H21NO2.C2H6/c1-3-5-12-33(28,31-4-2)32-11-10-30-9-8-29-7-6-21-18(26)14-23-19(27)15-22-17(25)13-20-16-24;1-3-4-5-6-11(13)12-8-7-10(9-12)14-2;1-2/h16H,3-15H2,1-2H3,(H,20,24)(H,21,26)(H,22,25)(H,23,27);10H,3-9H2,1-2H3;1-2H3/t;10-;/m.0./s1
InChIKeyCRAJVCVWKQWDFA-RBPNCNDUSA-N
XLogP2.00
TPSA199.93 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.86
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphanyl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexanamide;ethane
CID 156850296
[2-[[6-[(3S)-3-methoxypyrrolidin-1-yl]-6-oxohexyl]amino]-2-oxoethyl] hexadecanoate
CID 156737466
ethane;N-[2-[2-[2-[3-(4-methoxypiperidin-1-yl)-3-oxopropoxy]ethoxy]ethoxy]ethyl]propanamide
CID 171833589
N-(2-diethoxyphosphorylethyl)heptanamide
CID 143289197
1,4-di(hexadecanoyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]-1,4-diazepane-6-carboxamide
CID 170630613
N-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-16-sulfanylhexadecanamide
CID 101129520
5-hydroxy-1-(3-methoxypyrrolidin-1-yl)pentan-1-one
CID 19039692
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
ethane;5-(2-formamidoethoxy)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]pentanamide;pentane
CID 156865396
[(3R)-1-octadecanoylpyrrolidin-3-yl] 4-[[3-methyl-3-(3-methylbut-3-enoxy)butyl]amino]-4-oxobutanoate
CID 176935672
N-[2-[2-(3-oxopropoxy)ethoxy]ethyl]hexadecanamide
CID 145049534
6-amino-1-(3-methoxypyrrolidin-1-yl)hexan-1-one
CID 103532834

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one?
The IUPAC name of N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one (CID 156738180) is N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one.
What is the SMILES notation for N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one?
The canonical SMILES for N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one is CC.CCCCCC(=O)N1CC[C@H](OC)C1.CCCCP(=O)(OCC)OCCOCCOCCNC(=O)CNC(=O)CNC(=O)CNC=O.
What is the InChIKey of N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one?
The InChIKey is CRAJVCVWKQWDFA-RBPNCNDUSA-N. The full InChI is InChI=1S/C19H37N4O9P.C11H21NO2.C2H6/c1-3-5-12-33(28,31-4-2)32-11-10-30-9-8-29-7-6-21-18(26)14-23-19(27)15-22-17(25)13-20-16-24;1-3-4-5-6-11(13)12-8-7-10(9-12)14-2;1-2/h16H,3-15H2,1-2H3,(H,20,24)(H,21,26)(H,22,25)(H,23,27);10H,3-9H2,1-2H3;1-2H3/t;10-;/m.0./s1.
What are the key properties of N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one?
N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one has a molecular weight of 725.86 g/mol, XLogP of 2.00, 27 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[2-[2-[2-[butyl(ethoxy)phosphoryl]oxyethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]-2-formamidoacetamide;ethane;1-[(3S)-3-methoxypyrrolidin-1-yl]hexan-1-one is sourced from PubChem (CID 156738180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).