N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide

C22H27NO3 — CID 132653358

IUPACN-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C22H27NO3/c1-3-20(26-21-11-7-4-8-16(21)2)22(24)23-17-12-14-19(15-13-17)25-18-9-5-6-10-18/h4,7-8,11-15,18,20H,3,5-6,9-10H2,1-2H3,(H,23,24)
InChIKeyWIJCXFFOVVBCAA-UHFFFAOYSA-N
MW353.46 g/mol
LogP5.11
Rot. Bonds7

About N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide

N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide (PubChem CID 132653358) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide
PubChem CID132653358
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC NameN-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide
SMILESCCC(Oc1ccccc1C)C(=O)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C22H27NO3/c1-3-20(26-21-11-7-4-8-16(21)2)22(24)23-17-12-14-19(15-13-17)25-18-9-5-6-10-18/h4,7-8,11-15,18,20H,3,5-6,9-10H2,1-2H3,(H,23,24)
InChIKeyWIJCXFFOVVBCAA-UHFFFAOYSA-N
XLogP5.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyclopentyloxyphenyl)-2-phenoxybutanamide
CID 132651998
N-(4-cyclopentyloxyphenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 132655055
4-[2-(2-methylphenoxy)butanoylamino]benzoic acid
CID 54854325
N-[4-(3-methylbutoxy)phenyl]-2-(2-methylphenoxy)butanamide
CID 4949864
N-(3-aminophenyl)-2-(2-methylphenoxy)butanamide
CID 46735775
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
N-[5-[[(2R)-2-(2-methylphenoxy)butanoyl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 97319750
N,N-diethyl-4-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzamide
CID 42579514
4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235025
(2R)-2-(2-methylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 94027340
2-(2-chlorophenoxy)-N-(4-cyclopentyloxyphenyl)propanamide
CID 132654197
(2R)-N-cyclopentyl-N-methyl-2-(2-methylphenoxy)butanamide
CID 92680266

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide (CID 132653358) is N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide is CCC(Oc1ccccc1C)C(=O)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide?
The InChIKey is WIJCXFFOVVBCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-3-20(26-21-11-7-4-8-16(21)2)22(24)23-17-12-14-19(15-13-17)25-18-9-5-6-10-18/h4,7-8,11-15,18,20H,3,5-6,9-10H2,1-2H3,(H,23,24).
What are the key properties of N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide?
N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide has a molecular weight of 353.46 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 132653358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).