1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide

C25H35N3O2 — CID 56512324

IUPAC1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(C)n(C2CCCCC2)c1C
InChIInChI=1S/C25H35N3O2/c1-6-27(17-20-12-14-21(15-13-20)24(29)26(4)5)25(30)23-16-18(2)28(19(23)3)22-10-8-7-9-11-22/h12-16,22H,6-11,17H2,1-5H3
InChIKeyRESKPMRXYNDDMP-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.97
Rot. Bonds6

About 1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide

1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 56512324) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID56512324
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(C)n(C2CCCCC2)c1C
InChIInChI=1S/C25H35N3O2/c1-6-27(17-20-12-14-21(15-13-20)24(29)26(4)5)25(30)23-16-18(2)28(19(23)3)22-10-8-7-9-11-22/h12-16,22H,6-11,17H2,1-5H3
InChIKeyRESKPMRXYNDDMP-UHFFFAOYSA-N
XLogP4.97
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]acetic acid
CID 119172084
2-[benzyl(ethyl)amino]-1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110655093
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
4-[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 110659262
4-[[ethyl-(2-hydroxycyclopentanecarbonyl)amino]methyl]-N,N-dimethylbenzamide
CID 110015673
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 119318530
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 56511013
1-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]ethanone
CID 110655106
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 56511666
4-[[ethyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512059
1-cyclopropyl-N,2,5-trimethyl-N-(2-pyridin-4-ylethyl)pyrrole-3-carboxamide
CID 110698865
4-[[buta-2,3-dienoyl(ethyl)amino]methyl]-N,N-dimethylbenzamide
CID 167790546

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide (CID 56512324) is 1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(C)n(C2CCCCC2)c1C.
What is the InChIKey of 1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is RESKPMRXYNDDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-6-27(17-20-12-14-21(15-13-20)24(29)26(4)5)25(30)23-16-18(2)28(19(23)3)22-10-8-7-9-11-22/h12-16,22H,6-11,17H2,1-5H3.
What are the key properties of 1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide?
1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 409.57 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 56512324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).