2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide

C18H25N3O2 — CID 102560947

IUPAC2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCCC1NC(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-19-17(22)14-8-5-9-15(14)21-16(12-6-3-2-4-7-12)18(23)20-13-10-11-13/h2-4,6-7,13-16,21H,5,8-11H2,1H3,(H,19,22)(H,20,23)
InChIKeySTWLWRPCRJLLEQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.51
Rot. Bonds6

About 2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide

2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide (PubChem CID 102560947) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide
PubChem CID102560947
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide
SMILESCNC(=O)C1CCCC1NC(C(=O)NC1CC1)c1ccccc1
InChIInChI=1S/C18H25N3O2/c1-19-17(22)14-8-5-9-15(14)21-16(12-6-3-2-4-7-12)18(23)20-13-10-11-13/h2-4,6-7,13-16,21H,5,8-11H2,1H3,(H,19,22)(H,20,23)
InChIKeySTWLWRPCRJLLEQ-UHFFFAOYSA-N
XLogP1.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide with MolForge

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Related Compounds

trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381
(1S)-2-[[(1R)-1-phenylethyl]amino]-N-propan-2-ylcyclopentane-1-carboxamide
CID 143582335
(2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide
CID 167001986
2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
CID 55036450
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
cis-methyl (1R,2S)-2-[[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]cyclopentane-1-carboxylate
CID 124743453
cis-(1R,2S)-2-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]-N-methylcyclohexane-1-carboxamide
CID 124862264
(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8756132
2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
CID 60597929
cis-(1R,3S)-N-cyclopropyl-3-[[(2S)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide
CID 100873540
trans-(1R,3R)-N-cyclopropyl-3-[[(2R)-2-hydroxy-2-phenylacetyl]amino]cyclohexane-1-carboxamide
CID 124739605

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide (CID 102560947) is 2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide is CNC(=O)C1CCCC1NC(C(=O)NC1CC1)c1ccccc1.
What is the InChIKey of 2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide?
The InChIKey is STWLWRPCRJLLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-19-17(22)14-8-5-9-15(14)21-16(12-6-3-2-4-7-12)18(23)20-13-10-11-13/h2-4,6-7,13-16,21H,5,8-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide?
2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 102560947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).