N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide

C20H29NO3 — CID 77087240

IUPACN-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCOCC1(NC(=O)C2(c3ccc(OC)cc3)CC2(C)C)CCCC1
InChIInChI=1S/C20H29NO3/c1-18(2)13-20(18,15-7-9-16(24-4)10-8-15)17(22)21-19(14-23-3)11-5-6-12-19/h7-10H,5-6,11-14H2,1-4H3,(H,21,22)
InChIKeyMKNLTWPYOFWIOG-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.44
Rot. Bonds6

About N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide

N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 77087240) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID77087240
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC NameN-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCOCC1(NC(=O)C2(c3ccc(OC)cc3)CC2(C)C)CCCC1
InChIInChI=1S/C20H29NO3/c1-18(2)13-20(18,15-7-9-16(24-4)10-8-15)17(22)21-19(14-23-3)11-5-6-12-19/h7-10H,5-6,11-14H2,1-4H3,(H,21,22)
InChIKeyMKNLTWPYOFWIOG-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-fluorophenyl)-N-[1-(methoxymethyl)cyclopentyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 99929753
(1S)-N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 125171632
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
(1S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 99927183
4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
CID 119309997
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 120888880
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenoxy)propanamide
CID 115878186
(1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 125161826
N-[1-(4-methoxyphenyl)cyclopropyl]propanamide
CID 113091106
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427

Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 77087240) is N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide is COCC1(NC(=O)C2(c3ccc(OC)cc3)CC2(C)C)CCCC1.
What is the InChIKey of N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is MKNLTWPYOFWIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-18(2)13-20(18,15-7-9-16(24-4)10-8-15)17(22)21-19(14-23-3)11-5-6-12-19/h7-10H,5-6,11-14H2,1-4H3,(H,21,22).
What are the key properties of N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclopentyl]-1-(4-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 77087240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).