N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide

C21H27N3O3 — CID 169417638

IUPACN-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)C2CCC(NC(=O)c3ccc[nH]3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-14(15-7-11-18(27-2)12-8-15)23-20(25)16-5-9-17(10-6-16)24-21(26)19-4-3-13-22-19/h3-4,7-8,11-14,16-17,22H,5-6,9-10H2,1-2H3,(H,23,25)(H,24,26)/t14-,16?,17?/m1/s1
InChIKeyOJLJELUORLRQCX-ODIFPOPNSA-N
MW369.46 g/mol
LogP3.19
Rot. Bonds6

About N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide

N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide (PubChem CID 169417638) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide
PubChem CID169417638
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC NameN-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)C2CCC(NC(=O)c3ccc[nH]3)CC2)cc1
InChIInChI=1S/C21H27N3O3/c1-14(15-7-11-18(27-2)12-8-15)23-20(25)16-5-9-17(10-6-16)24-21(26)19-4-3-13-22-19/h3-4,7-8,11-14,16-17,22H,5-6,9-10H2,1-2H3,(H,23,25)(H,24,26)/t14-,16?,17?/m1/s1
InChIKeyOJLJELUORLRQCX-ODIFPOPNSA-N
XLogP3.19
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 97105682
[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
CID 67223877
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 171097080
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-oxo-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidine-6-carboxamide
CID 171646905
trans-(1S,2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 27450158
(3S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpiperidine-3-carboxamide
CID 99970387
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
CID 71863545
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]piperidine-2-carboxamide
CID 104914369
N-[1-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxamide
CID 79385324
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
2-[[(1S)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979010

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide (CID 169417638) is N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide is COc1ccc([C@@H](C)NC(=O)C2CCC(NC(=O)c3ccc[nH]3)CC2)cc1.
What is the InChIKey of N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide?
The InChIKey is OJLJELUORLRQCX-ODIFPOPNSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14(15-7-11-18(27-2)12-8-15)23-20(25)16-5-9-17(10-6-16)24-21(26)19-4-3-13-22-19/h3-4,7-8,11-14,16-17,22H,5-6,9-10H2,1-2H3,(H,23,25)(H,24,26)/t14-,16?,17?/m1/s1.
What are the key properties of N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide?
N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]cyclohexyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 169417638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).