N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide

C25H31N3O2 — CID 52690341

IUPACN-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H31N3O2/c29-24(22-13-11-21(12-14-22)20-8-2-1-3-9-20)26-18-19-7-6-10-23(17-19)27-25(30)28-15-4-5-16-28/h6-7,10-14,17,20H,1-5,8-9,15-16,18H2,(H,26,29)(H,27,30)
InChIKeyYUXDLKFJWMZCJS-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.29
Rot. Bonds5

About N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide

N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 52690341) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID52690341
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H31N3O2/c29-24(22-13-11-21(12-14-22)20-8-2-1-3-9-20)26-18-19-7-6-10-23(17-19)27-25(30)28-15-4-5-16-28/h6-7,10-14,17,20H,1-5,8-9,15-16,18H2,(H,26,29)(H,27,30)
InChIKeyYUXDLKFJWMZCJS-UHFFFAOYSA-N
XLogP5.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[[3-(cyclohexanecarbonylamino)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55862384
N-[3-[[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55863137
2-[3-[[3-(pyrrolidine-1-carbonylamino)phenyl]methylcarbamoyl]phenoxy]acetic acid
CID 119182068
1-acetyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 60524744
N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
CID 79151936
N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 60524787
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 119743695
4-acetamido-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 60535462
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
methyl 1-[N'-methyl-N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111253392
(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide (CID 52690341) is N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide is O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is YUXDLKFJWMZCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c29-24(22-13-11-21(12-14-22)20-8-2-1-3-9-20)26-18-19-7-6-10-23(17-19)27-25(30)28-15-4-5-16-28/h6-7,10-14,17,20H,1-5,8-9,15-16,18H2,(H,26,29)(H,27,30).
What are the key properties of N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide?
N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-cyclohexylbenzoyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 52690341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).