N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide

C28H34N2O — CID 4552886

IUPACN-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
SMILESCCc1ccc(C(=O)N(Cc2cccn2Cc2cccc(C)c2)C2CCCCC2)cc1
InChIInChI=1S/C28H34N2O/c1-3-23-14-16-25(17-15-23)28(31)30(26-11-5-4-6-12-26)21-27-13-8-18-29(27)20-24-10-7-9-22(2)19-24/h7-10,13-19,26H,3-6,11-12,20-21H2,1-2H3
InChIKeyBDCJHJWEWBWRMF-UHFFFAOYSA-N
MW414.59 g/mol
LogP6.38
Rot. Bonds7

About N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide

N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide (PubChem CID 4552886) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
PubChem CID4552886
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC NameN-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
SMILESCCc1ccc(C(=O)N(Cc2cccn2Cc2cccc(C)c2)C2CCCCC2)cc1
InChIInChI=1S/C28H34N2O/c1-3-23-14-16-25(17-15-23)28(31)30(26-11-5-4-6-12-26)21-27-13-8-18-29(27)20-24-10-7-9-22(2)19-24/h7-10,13-19,26H,3-6,11-12,20-21H2,1-2H3
InChIKeyBDCJHJWEWBWRMF-UHFFFAOYSA-N
XLogP6.38
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762652
N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3457406
N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(trifluoromethyl)benzamide
CID 5126941
N-cyclohexyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762619
4-ethyl-N-[(2S)-3-methylbutan-2-yl]-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 7301359
N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 4617614
3-(2-bromophenyl)-1-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]urea
CID 42663078
1-cyclohexyl-1-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42762818
N-butan-2-yl-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-4-ethylbenzamide
CID 3981119
N-cyclohexyl-2-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]benzamide
CID 3394372
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-4-fluorobenzamide
CID 810218
N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 42663039

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The IUPAC name of N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide (CID 4552886) is N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide is CCc1ccc(C(=O)N(Cc2cccn2Cc2cccc(C)c2)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The InChIKey is BDCJHJWEWBWRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-3-23-14-16-25(17-15-23)28(31)30(26-11-5-4-6-12-26)21-27-13-8-18-29(27)20-24-10-7-9-22(2)19-24/h7-10,13-19,26H,3-6,11-12,20-21H2,1-2H3.
What are the key properties of N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide has a molecular weight of 414.59 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide is sourced from PubChem (CID 4552886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).