N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide

C23H29N3O4 — CID 55572382

IUPACN-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C(C)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C23H29N3O4/c1-15(24-17-8-11-20(12-9-17)30-19-6-4-5-7-19)23(28)26-21-14-18(25-16(2)27)10-13-22(21)29-3/h8-15,19,24H,4-7H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyBCZYAQMUPWXYPL-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.41
Rot. Bonds8

About N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide

N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide (PubChem CID 55572382) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide
PubChem CID55572382
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C(C)Nc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C23H29N3O4/c1-15(24-17-8-11-20(12-9-17)30-19-6-4-5-7-19)23(28)26-21-14-18(25-16(2)27)10-13-22(21)29-3/h8-15,19,24H,4-7H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyBCZYAQMUPWXYPL-UHFFFAOYSA-N
XLogP4.41
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(5-acetamido-2-methoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]anilino]propanamide
CID 34299749
2-(4-cyclopentyloxyanilino)-N-phenylpropanamide
CID 42950148
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057
(2S)-2-(4-cyclopentyloxyanilino)-N-(methylcarbamoyl)propanamide
CID 25345040
N-[3-(cyclohexylcarbamoylamino)-4-methoxyphenyl]acetamide
CID 4120812
(2S)-N-(2,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25351726
N-(2,5-dimethoxyphenyl)-2-(4-ethylanilino)propanamide
CID 51178496
N-(2,5-dimethoxyphenyl)-2-(4-phenoxyanilino)propanamide
CID 55362447
N-(5-acetamido-2-methoxyphenyl)-2-aminopropanamide;hydrochloride
CID 119266368
2-(5-acetamido-2-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 17416791
N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylanilino)propanamide
CID 51178285
2-(3-acetamidoanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 17480510

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide (CID 55572382) is N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide is COc1ccc(NC(C)=O)cc1NC(=O)C(C)Nc1ccc(OC2CCCC2)cc1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide?
The InChIKey is BCZYAQMUPWXYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-15(24-17-8-11-20(12-9-17)30-19-6-4-5-7-19)23(28)26-21-14-18(25-16(2)27)10-13-22(21)29-3/h8-15,19,24H,4-7H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide?
N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide has a molecular weight of 411.50 g/mol, XLogP of 4.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2-(4-cyclopentyloxyanilino)propanamide is sourced from PubChem (CID 55572382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).