3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

C17H30N4O3 — CID 18157282

IUPAC3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NCCC(=O)N1CCCC1
InChIInChI=1S/C17H30N4O3/c22-15(18-11-9-16(23)21-12-4-5-13-21)8-10-19-17(24)20-14-6-2-1-3-7-14/h14H,1-13H2,(H,18,22)(H2,19,20,24)
InChIKeyGRHPWROOHYBIGL-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.14
Rot. Bonds7

About 3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 18157282) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID18157282
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESO=C(CCNC(=O)NC1CCCCC1)NCCC(=O)N1CCCC1
InChIInChI=1S/C17H30N4O3/c22-15(18-11-9-16(23)21-12-4-5-13-21)8-10-19-17(24)20-14-6-2-1-3-7-14/h14H,1-13H2,(H,18,22)(H2,19,20,24)
InChIKeyGRHPWROOHYBIGL-UHFFFAOYSA-N
XLogP1.14
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-(3-oxo-3-pyrrolidin-1-ylpropyl)urea
CID 60601131
1-cyclohexyl-3-[4-(1,4-diazepan-1-yl)-4-oxobutyl]urea
CID 119415459
1-cyclohexyl-3-[3-oxo-3-(4-phenylpiperidin-1-yl)propyl]urea
CID 46588795
1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 84515833
1-cyclohexyl-3-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]urea
CID 18152043
1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea
CID 18152913
1-[4-(cyclohexylcarbamoylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119354504
N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941998
N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941929
N-cyclopropyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]acetamide
CID 113268579
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (CID 18157282) is 3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is O=C(CCNC(=O)NC1CCCCC1)NCCC(=O)N1CCCC1.
What is the InChIKey of 3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is GRHPWROOHYBIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c22-15(18-11-9-16(23)21-12-4-5-13-21)8-10-19-17(24)20-14-6-2-1-3-7-14/h14H,1-13H2,(H,18,22)(H2,19,20,24).
What are the key properties of 3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylcarbamoylamino)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 18157282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).