N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide

C24H26N2O2 — CID 142279898

IUPACN-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide
SMILESO=C(NCC1CCC(Oc2ccccc2)CC1)c1c[nH]cc1-c1ccccc1
InChIInChI=1S/C24H26N2O2/c27-24(23-17-25-16-22(23)19-7-3-1-4-8-19)26-15-18-11-13-21(14-12-18)28-20-9-5-2-6-10-20/h1-10,16-18,21,25H,11-15H2,(H,26,27)
InChIKeyPWIQNLTZQMNZQR-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.05
Rot. Bonds6

About N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide

N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide (PubChem CID 142279898) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide
PubChem CID142279898
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide
SMILESO=C(NCC1CCC(Oc2ccccc2)CC1)c1c[nH]cc1-c1ccccc1
InChIInChI=1S/C24H26N2O2/c27-24(23-17-25-16-22(23)19-7-3-1-4-8-19)26-15-18-11-13-21(14-12-18)28-20-9-5-2-6-10-20/h1-10,16-18,21,25H,11-15H2,(H,26,27)
InChIKeyPWIQNLTZQMNZQR-UHFFFAOYSA-N
XLogP5.05
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-phenylcyclohexyl)methyl]-4-pyridin-3-yl-1H-pyrrole-3-carboxamide
CID 142280096
4-(4-chlorophenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
CID 142279626
4-methyl-N-[(1-phenylpiperidin-4-yl)methyl]-1H-pyrrole-3-carboxamide
CID 122144511
4-(3-fluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
CID 142279830
4-(4,5-difluoro-2-methoxyphenyl)-N-[(4-phenylcyclohexyl)methyl]-1H-pyrrole-3-carboxamide
CID 142279803
N-(cyclobutylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 33379552
N-[(4-cyclohexa-1,5-dien-1-ylcyclohexyl)methyl]-4-(4-fluoro-3-hydroxyphenyl)-1H-pyrrole-3-carboxamide
CID 142280115
N-[(1,1-dioxothiolan-3-yl)methyl]-2-phenylbenzamide
CID 77085411
N-[(4-methylcyclohexyl)methyl]-1H-indole-3-carboxamide
CID 61381158
N-[(4-hydroxycyclohexyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106124618
N-(cyclopropylmethyl)-2-(propan-2-ylamino)benzamide
CID 63107544
4-amino-1-N,2-N-bis(cyclopropylmethyl)benzene-1,2-dicarboxamide
CID 165390196

Frequently Asked Questions

What is the IUPAC name of N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide (CID 142279898) is N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide is O=C(NCC1CCC(Oc2ccccc2)CC1)c1c[nH]cc1-c1ccccc1.
What is the InChIKey of N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide?
The InChIKey is PWIQNLTZQMNZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c27-24(23-17-25-16-22(23)19-7-3-1-4-8-19)26-15-18-11-13-21(14-12-18)28-20-9-5-2-6-10-20/h1-10,16-18,21,25H,11-15H2,(H,26,27).
What are the key properties of N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide?
N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenoxycyclohexyl)methyl]-4-phenyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 142279898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).