N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide

C30H34N2O6 — CID 142662106

IUPACN-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCCc3ccc(OC)c(OC4CCCC4)c3)cc2)cc1OC
InChIInChI=1S/C30H34N2O6/c1-35-25-15-11-22(19-27(25)37-3)30(34)32-23-12-9-21(10-13-23)29(33)31-17-16-20-8-14-26(36-2)28(18-20)38-24-6-4-5-7-24/h8-15,18-19,24H,4-7,16-17H2,1-3H3,(H,31,33)(H,32,34)
InChIKeyVRMALZBULXQQKG-UHFFFAOYSA-N
MW518.61 g/mol
LogP5.26
Rot. Bonds11

About N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide

N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 142662106) has the molecular formula C30H34N2O6 and a molecular weight of 518.61 g/mol. Its IUPAC name is N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
PubChem CID142662106
Molecular FormulaC30H34N2O6
Molecular Weight518.61 g/mol
Exact Mass518.24
IUPAC NameN-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCCc3ccc(OC)c(OC4CCCC4)c3)cc2)cc1OC
InChIInChI=1S/C30H34N2O6/c1-35-25-15-11-22(19-27(25)37-3)30(34)32-23-12-9-21(10-13-23)29(33)31-17-16-20-8-14-26(36-2)28(18-20)38-24-6-4-5-7-24/h8-15,18-19,24H,4-7,16-17H2,1-3H3,(H,31,33)(H,32,34)
InChIKeyVRMALZBULXQQKG-UHFFFAOYSA-N
XLogP5.26
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.61
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
N-[4-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 9270038
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138
3-(cyclohexanecarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 39899444
4-(difluoromethoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methoxybenzamide
CID 9246064
cyclohexyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate
CID 985959
propan-2-yl N-[2-(4-cyclohexadecyloxy-3-methoxyphenyl)ethyl]carbamate
CID 130323714
2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 120530673
4-cyclopentyloxy-3-methoxy-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]benzamide
CID 56506249
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514
N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
CID 14118389
5-(cycloheptylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109193613

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide (CID 142662106) is N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccc(C(=O)NCCc3ccc(OC)c(OC4CCCC4)c3)cc2)cc1OC.
What is the InChIKey of N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is VRMALZBULXQQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O6/c1-35-25-15-11-22(19-27(25)37-3)30(34)32-23-12-9-21(10-13-23)29(33)31-17-16-20-8-14-26(36-2)28(18-20)38-24-6-4-5-7-24/h8-15,18-19,24H,4-7,16-17H2,1-3H3,(H,31,33)(H,32,34).
What are the key properties of N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide?
N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 518.61 g/mol, XLogP of 5.26, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylcarbamoyl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 142662106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).