N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide

C28H36N2O5 — CID 3180235

IUPACN-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccc(OC)c(OC)c2)C2CCCC2)cc1
InChIInChI=1S/C28H36N2O5/c1-33-23-15-12-19(13-16-23)26(27(31)29-21-8-4-5-9-21)30(22-10-6-7-11-22)28(32)20-14-17-24(34-2)25(18-20)35-3/h12-18,21-22,26H,4-11H2,1-3H3,(H,29,31)
InChIKeyGOVYROASTFOZMR-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.90
Rot. Bonds9

About N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide

N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 3180235) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID3180235
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC NameN-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccc(OC)c(OC)c2)C2CCCC2)cc1
InChIInChI=1S/C28H36N2O5/c1-33-23-15-12-19(13-16-23)26(27(31)29-21-8-4-5-9-21)30(22-10-6-7-11-22)28(32)20-14-17-24(34-2)25(18-20)35-3/h12-18,21-22,26H,4-11H2,1-3H3,(H,29,31)
InChIKeyGOVYROASTFOZMR-UHFFFAOYSA-N
XLogP4.90
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]furan-2-carboxamide
CID 3196888
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 3180244
2-[(2-chloroacetyl)-cyclopropylamino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3540354
N-[2-(cyclopentylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 3196870
(2S)-2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 98090820
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 18525162
N-[(1R)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 25311473
N-[(1S)-2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-3,4-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 25447501
N-[2-(cyclopentylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
CID 649047
N-[(1S)-2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 1167455
N-[(1R)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-N-(furan-2-ylmethyl)-3,4-dimethoxybenzamide
CID 25447123
N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 3184757

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide (CID 3180235) is N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccc(OC)c(OC)c2)C2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is GOVYROASTFOZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-33-23-15-12-19(13-16-23)26(27(31)29-21-8-4-5-9-21)30(22-10-6-7-11-22)28(32)20-14-17-24(34-2)25(18-20)35-3/h12-18,21-22,26H,4-11H2,1-3H3,(H,29,31).
What are the key properties of N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide?
N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 480.61 g/mol, XLogP of 4.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 3180235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).