N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide

C28H34N2O3 — CID 3457406

IUPACN-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cccn2Cc2cccc(C)c2)C2CCCCC2)c1
InChIInChI=1S/C28H34N2O3/c1-21-9-7-10-22(15-21)19-29-14-8-13-25(29)20-30(24-11-5-4-6-12-24)28(31)23-16-26(32-2)18-27(17-23)33-3/h7-10,13-18,24H,4-6,11-12,19-20H2,1-3H3
InChIKeyGEPSYLGAXZPUGY-UHFFFAOYSA-N
MW446.59 g/mol
LogP5.84
Rot. Bonds8

About N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide

N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide (PubChem CID 3457406) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
PubChem CID3457406
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC NameN-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cccn2Cc2cccc(C)c2)C2CCCCC2)c1
InChIInChI=1S/C28H34N2O3/c1-21-9-7-10-22(15-21)19-29-14-8-13-25(29)20-30(24-11-5-4-6-12-24)28(31)23-16-26(32-2)18-27(17-23)33-3/h7-10,13-18,24H,4-6,11-12,19-20H2,1-3H3
InChIKeyGEPSYLGAXZPUGY-UHFFFAOYSA-N
XLogP5.84
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-ethyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 4552886
3,4-dichloro-N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762652
N-cyclohexyl-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-3-(trifluoromethyl)benzamide
CID 5126941
3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 4011356
2-chloro-N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 42762993
3,5-dimethoxy-N-(2-methoxyethyl)-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 5110033
N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide
CID 3878110
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-cyclohexyl-3-methoxybenzamide
CID 42776780
3-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 3624301
N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-3,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 4037547
N-butyl-N-[2-[cyclohexyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
CID 3676757
N-cyclohexyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 4617614

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The IUPAC name of N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide (CID 3457406) is N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide.
What is the SMILES notation for N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The canonical SMILES for N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide is COc1cc(OC)cc(C(=O)N(Cc2cccn2Cc2cccc(C)c2)C2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The InChIKey is GEPSYLGAXZPUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-21-9-7-10-22(15-21)19-29-14-8-13-25(29)20-30(24-11-5-4-6-12-24)28(31)23-16-26(32-2)18-27(17-23)33-3/h7-10,13-18,24H,4-6,11-12,19-20H2,1-3H3.
What are the key properties of N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide has a molecular weight of 446.59 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,5-dimethoxy-N-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide is sourced from PubChem (CID 3457406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).