1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide

C17H23N3O2 — CID 119270721

IUPAC1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(N3CCCC3=O)cc2)CCCCC1
InChIInChI=1S/C17H23N3O2/c18-17(10-2-1-3-11-17)16(22)19-13-6-8-14(9-7-13)20-12-4-5-15(20)21/h6-9H,1-5,10-12,18H2,(H,19,22)
InChIKeyWQCYHJRWOQPBAV-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.41
Rot. Bonds3

About 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide

1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119270721) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID119270721
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(N3CCCC3=O)cc2)CCCCC1
InChIInChI=1S/C17H23N3O2/c18-17(10-2-1-3-11-17)16(22)19-13-6-8-14(9-7-13)20-12-4-5-15(20)21/h6-9H,1-5,10-12,18H2,(H,19,22)
InChIKeyWQCYHJRWOQPBAV-UHFFFAOYSA-N
XLogP2.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119688467
1-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119290019
1-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119692813
1-amino-N-[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119285129
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 16764862
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61155138
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide (CID 119270721) is 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide is NC1(C(=O)Nc2ccc(N3CCCC3=O)cc2)CCCCC1.
What is the InChIKey of 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is WQCYHJRWOQPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c18-17(10-2-1-3-11-17)16(22)19-13-6-8-14(9-7-13)20-12-4-5-15(20)21/h6-9H,1-5,10-12,18H2,(H,19,22).
What are the key properties of 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide?
1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119270721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).