N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide

C25H33NO5 — CID 42472057

IUPACN-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(OC)c(OC(C)C)c2)C2CCCC2)c(OC)c1
InChIInChI=1S/C25H33NO5/c1-17(2)31-24-14-18(10-13-22(24)29-4)16-26(19-8-6-7-9-19)25(27)21-12-11-20(28-3)15-23(21)30-5/h10-15,17,19H,6-9,16H2,1-5H3
InChIKeySUQXEWIQTSIIOB-UHFFFAOYSA-N
MW427.54 g/mol
LogP5.08
Rot. Bonds9

About N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide

N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide (PubChem CID 42472057) has the molecular formula C25H33NO5 and a molecular weight of 427.54 g/mol. Its IUPAC name is N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide
PubChem CID42472057
Molecular FormulaC25H33NO5
Molecular Weight427.54 g/mol
Exact Mass427.24
IUPAC NameN-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccc(OC)c(OC(C)C)c2)C2CCCC2)c(OC)c1
InChIInChI=1S/C25H33NO5/c1-17(2)31-24-14-18(10-13-22(24)29-4)16-26(19-8-6-7-9-19)25(27)21-12-11-20(28-3)15-23(21)30-5/h10-15,17,19H,6-9,16H2,1-5H3
InChIKeySUQXEWIQTSIIOB-UHFFFAOYSA-N
XLogP5.08
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide
CID 26363492
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-2,4-dimethoxybenzamide
CID 39348998
N-cyclohexyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2,4-dimethoxybenzamide
CID 3362120
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide
CID 22778466
N-cyclopropyl-2,4-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 810000
2,4-dimethoxy-N,N-di(propan-2-yl)benzamide
CID 801007
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-2-chloro-N-cyclohexylbenzamide
CID 22779364
N-cyclopentyl-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 74238255
N-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 3221341
2-[cyclopentyl-[(3,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39401965
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-(2-methylpropoxy)benzamide
CID 23096416

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide (CID 42472057) is N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide is COc1ccc(C(=O)N(Cc2ccc(OC)c(OC(C)C)c2)C2CCCC2)c(OC)c1.
What is the InChIKey of N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide?
The InChIKey is SUQXEWIQTSIIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO5/c1-17(2)31-24-14-18(10-13-22(24)29-4)16-26(19-8-6-7-9-19)25(27)21-12-11-20(28-3)15-23(21)30-5/h10-15,17,19H,6-9,16H2,1-5H3.
What are the key properties of N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide?
N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide has a molecular weight of 427.54 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 42472057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).