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

C19H26N2O3 — CID 46436271

IUPACN-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-13-12-17(13)19(23)20-11-10-18(22)21-14-6-8-16(9-7-14)24-15-4-2-3-5-15/h6-9,13,15,17H,2-5,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyVQRJLFJERDZETG-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.11
Rot. Bonds7

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

N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 46436271) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID46436271
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCCC(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-13-12-17(13)19(23)20-11-10-18(22)21-14-6-8-16(9-7-14)24-15-4-2-3-5-15/h6-9,13,15,17H,2-5,10-12H2,1H3,(H,20,23)(H,21,22)
InChIKeyVQRJLFJERDZETG-UHFFFAOYSA-N
XLogP3.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-cyclopentyloxy-4-methoxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55650972
3-bromo-N-(4-cyclopentyloxyphenyl)propanamide
CID 113385178
2-chloro-N-(4-cyclopentyloxyphenyl)acetamide
CID 39356793
N-(4-cyclopentyloxyphenyl)-4-hydroxypentanamide
CID 79200161
N-[4-(4-cyclopentyloxyanilino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 36567839
6-amino-N-(4-cyclopentyloxyphenyl)hexanamide
CID 43706244
2-bromo-N-(4-cyclohexyloxyphenyl)acetamide
CID 23624715
N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 3026194
trans-(1R,2R)-N-[3-(3-acetylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39895698
trans-(1R,2R)-N-[3-(3-chloro-4-pyrrolidin-1-ylanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 95294533
N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide
CID 110014616
2-methyl-N-[3-[3-[2-(methylamino)-2-oxoethoxy]anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 46440401

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide (CID 46436271) is N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)NCCC(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is VQRJLFJERDZETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-12-17(13)19(23)20-11-10-18(22)21-14-6-8-16(9-7-14)24-15-4-2-3-5-15/h6-9,13,15,17H,2-5,10-12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide?
N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyclopentyloxyanilino)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 46436271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).