1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide

C19H32N4O4 — CID 143025390

IUPAC1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide
SMILESCCC1(NC(=O)NCC(=O)N2CCCC2C(=O)NCC(C)=O)CCCCC1
InChIInChI=1S/C19H32N4O4/c1-3-19(9-5-4-6-10-19)22-18(27)21-13-16(25)23-11-7-8-15(23)17(26)20-12-14(2)24/h15H,3-13H2,1-2H3,(H,20,26)(H2,21,22,27)
InChIKeyRFRWIQZBYAAKDV-UHFFFAOYSA-N
MW380.49 g/mol
LogP1.09
Rot. Bonds7

About 1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide

1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide (PubChem CID 143025390) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide
PubChem CID143025390
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Name1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide
SMILESCCC1(NC(=O)NCC(=O)N2CCCC2C(=O)NCC(C)=O)CCCCC1
InChIInChI=1S/C19H32N4O4/c1-3-19(9-5-4-6-10-19)22-18(27)21-13-16(25)23-11-7-8-15(23)17(26)20-12-14(2)24/h15H,3-13H2,1-2H3,(H,20,26)(H2,21,22,27)
InChIKeyRFRWIQZBYAAKDV-UHFFFAOYSA-N
XLogP1.09
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 46182782
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
N-(2-oxopropyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 86587583
N-methyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxamide
CID 65242353
butane;N-[3-(cyclopropylamino)-2,3-dioxopropyl]-1-[2-[[1-(1,1-dioxothietan-2-yl)cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carboxamide;ethane;2-methylpropane
CID 143106254
(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833402
2-[[(2S)-1-[2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 175731269
(2S)-1-[2-(butanoylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 119365379
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 143353955
methyl 1-[2-[1-(methylamino)cyclohexyl]acetyl]pyrrolidine-2-carboxylate
CID 65242396
(1R)-2-[(Z)-hept-1-enyl]-1-[[(2S)-1-[2-[[1-[[methyl(pyridin-2-ylsulfonyl)amino]methyl]cyclohexyl]carbamoylamino]acetyl]pyrrolidine-2-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 70318751

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide (CID 143025390) is 1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide is CCC1(NC(=O)NCC(=O)N2CCCC2C(=O)NCC(C)=O)CCCCC1.
What is the InChIKey of 1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide?
The InChIKey is RFRWIQZBYAAKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-3-19(9-5-4-6-10-19)22-18(27)21-13-16(25)23-11-7-8-15(23)17(26)20-12-14(2)24/h15H,3-13H2,1-2H3,(H,20,26)(H2,21,22,27).
What are the key properties of 1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide?
1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 143025390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).