N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide

C22H26N2O3 — CID 55886160

IUPACN-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1
InChIInChI=1S/C22H26N2O3/c1-15-6-5-7-17(14-15)22(26)23-16(2)21(25)24-18-10-12-20(13-11-18)27-19-8-3-4-9-19/h5-7,10-14,16,19H,3-4,8-9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyOOQNROWOLQNWCO-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.07
Rot. Bonds6

About N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide

N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 55886160) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID55886160
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1
InChIInChI=1S/C22H26N2O3/c1-15-6-5-7-17(14-15)22(26)23-16(2)21(25)24-18-10-12-20(13-11-18)27-19-8-3-4-9-19/h5-7,10-14,16,19H,3-4,8-9H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyOOQNROWOLQNWCO-UHFFFAOYSA-N
XLogP4.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclohexyloxy-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 75424608
N-[1-[4-[2-(ethylamino)-2-oxoethoxy]anilino]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55886033
2-(4-cyclopentyloxyanilino)-N-phenylpropanamide
CID 42950148
N-(4-cyclopentyloxyphenyl)-2,5-dimethylbenzamide
CID 38454818
3-fluoro-N-[1-(3-methylanilino)-1-oxopropan-2-yl]benzamide
CID 46747357
N-(4-cyclopentyloxyphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 46585132
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8958081
3-methyl-N-[4-[2-(4-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17252287
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
3-methyl-N-[(2S)-1-(3-nitroanilino)-1-oxopropan-2-yl]benzamide
CID 9040600
N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 132655055
N-[1-[4-(cyclopropylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 46553767

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide (CID 55886160) is N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC(C)C(=O)Nc2ccc(OC3CCCC3)cc2)c1.
What is the InChIKey of N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is OOQNROWOLQNWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-6-5-7-17(14-15)22(26)23-16(2)21(25)24-18-10-12-20(13-11-18)27-19-8-3-4-9-19/h5-7,10-14,16,19H,3-4,8-9H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide?
N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 366.46 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopentyloxyanilino)-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 55886160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).