N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

C20H28N2O4 — CID 55650972

IUPACN-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)CCNC(=O)C2CC2C)cc1OC1CCCC1
InChIInChI=1S/C20H28N2O4/c1-13-11-16(13)20(24)21-10-9-19(23)22-14-7-8-17(25-2)18(12-14)26-15-5-3-4-6-15/h7-8,12-13,15-16H,3-6,9-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKPIDTFOCFRWDAE-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.12
Rot. Bonds8

About N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 55650972) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID55650972
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC NameN-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)CCNC(=O)C2CC2C)cc1OC1CCCC1
InChIInChI=1S/C20H28N2O4/c1-13-11-16(13)20(24)21-10-9-19(23)22-14-7-8-17(25-2)18(12-14)26-15-5-3-4-6-15/h7-8,12-13,15-16H,3-6,9-11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyKPIDTFOCFRWDAE-UHFFFAOYSA-N
XLogP3.12
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 46436271
N-[3-[3-(difluoromethoxy)-4-methoxyanilino]-3-oxopropyl]cyclopentanecarboxamide
CID 38824177
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-phenoxybutanamide
CID 31871009
1-[(3-amino-5-methylphenyl)methyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea
CID 166237399
2-[acetyl(cyclopentyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113159345
trans-[2-(3,4-dimethoxyanilino)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 8020711
2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
CID 2682853
trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39895698
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 55822339
trans-(1R,2R)-N-[3-(3-chloro-4-pyrrolidin-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294533
N-(3-cyclopentyloxy-4-methoxyphenyl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 56567411
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55584992

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 55650972) is N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is COc1ccc(NC(=O)CCNC(=O)C2CC2C)cc1OC1CCCC1.
What is the InChIKey of N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is KPIDTFOCFRWDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-13-11-16(13)20(24)21-10-9-19(23)22-14-7-8-17(25-2)18(12-14)26-15-5-3-4-6-15/h7-8,12-13,15-16H,3-6,9-11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 55650972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).