N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide

C21H31NO3 — CID 100705112

IUPACN-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCCCCC1
InChIInChI=1S/C21H31NO3/c1-16-15-17(11-12-19(16)25-18-9-5-6-10-18)22-20(23)21(24-2)13-7-3-4-8-14-21/h11-12,15,18H,3-10,13-14H2,1-2H3,(H,22,23)
InChIKeyAVGKRICVFUDQHA-UHFFFAOYSA-N
MW345.48 g/mol
LogP4.99
Rot. Bonds5

About N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide

N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide (PubChem CID 100705112) has the molecular formula C21H31NO3 and a molecular weight of 345.48 g/mol. Its IUPAC name is N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide
PubChem CID100705112
Molecular FormulaC21H31NO3
Molecular Weight345.48 g/mol
Exact Mass345.23
IUPAC NameN-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide
SMILESCOC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCCCCC1
InChIInChI=1S/C21H31NO3/c1-16-15-17(11-12-19(16)25-18-9-5-6-10-18)22-20(23)21(24-2)13-7-3-4-8-14-21/h11-12,15,18H,3-10,13-14H2,1-2H3,(H,22,23)
InChIKeyAVGKRICVFUDQHA-UHFFFAOYSA-N
XLogP4.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclopentyloxy-3-methylphenyl)-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672600
N-(4-cyclopentyloxy-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119806534
1-(2-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)cyclopentane-1-carboxamide
CID 100666997
1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100705123
cis-(1S,3S)-N-(4-ethoxy-3-methylphenyl)-1-methoxy-3-methylcyclohexane-1-carboxamide
CID 100707022
4-(4-chlorophenyl)-N-(4-cyclopentyloxy-3-methylphenyl)oxane-4-carboxamide
CID 100685863
(2R)-N-(4-cyclopentyloxy-3-methylphenyl)-2-cyclopropyl-2-methoxypropanamide
CID 100709664
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705167
ethyl 2-methoxy-5-[(1-methoxycycloheptanecarbonyl)amino]benzoate
CID 100756528
N-(4-cyclopentyloxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714806
N-(4-methoxy-3-methylphenyl)-1-propoxycyclopentane-1-carboxamide
CID 100712623
methyl 2-(difluoromethoxy)-5-[(1-methoxycyclopentanecarbonyl)amino]benzoate
CID 166300938

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide?
The IUPAC name of N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide (CID 100705112) is N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide.
What is the SMILES notation for N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide?
The canonical SMILES for N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide is COC1(C(=O)Nc2ccc(OC3CCCC3)c(C)c2)CCCCCC1.
What is the InChIKey of N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide?
The InChIKey is AVGKRICVFUDQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO3/c1-16-15-17(11-12-19(16)25-18-9-5-6-10-18)22-20(23)21(24-2)13-7-3-4-8-14-21/h11-12,15,18H,3-10,13-14H2,1-2H3,(H,22,23).
What are the key properties of N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide?
N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide has a molecular weight of 345.48 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide is sourced from PubChem (CID 100705112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).