2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide

C22H27N3O3 — CID 41479536

IUPAC2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC(=O)NC2CCCC2)Cc2ccccc2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-13-11-19(12-14-20)25(15-17-7-3-2-4-8-17)16-21(26)24-22(27)23-18-9-5-6-10-18/h2-4,7-8,11-14,18H,5-6,9-10,15-16H2,1H3,(H2,23,24,26,27)
InChIKeyXRRTVNHOVRSYSS-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.47
Rot. Bonds7

About 2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide

2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 41479536) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide
PubChem CID41479536
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide
SMILESCOc1ccc(N(CC(=O)NC(=O)NC2CCCC2)Cc2ccccc2)cc1
InChIInChI=1S/C22H27N3O3/c1-28-20-13-11-19(12-14-20)25(15-17-7-3-2-4-8-17)16-21(26)24-22(27)23-18-9-5-6-10-18/h2-4,7-8,11-14,18H,5-6,9-10,15-16H2,1H3,(H2,23,24,26,27)
InChIKeyXRRTVNHOVRSYSS-UHFFFAOYSA-N
XLogP3.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(N-benzyl-4-methoxyanilino)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 18144578
2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 16610917
ethyl 4-[2-(N-benzyl-4-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 46508849
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 122174537
2-[benzyl-[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 132619617
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 8760985
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222752
N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151240
(2R)-2-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100595074
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054
N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155209
N-(cyclopropylcarbamoyl)-2-(N-[(2R)-2-hydroxybutyl]anilino)acetamide
CID 94817476

Frequently Asked Questions

What is the IUPAC name of 2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide (CID 41479536) is 2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide is COc1ccc(N(CC(=O)NC(=O)NC2CCCC2)Cc2ccccc2)cc1.
What is the InChIKey of 2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is XRRTVNHOVRSYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-28-20-13-11-19(12-14-20)25(15-17-7-3-2-4-8-17)16-21(26)24-22(27)23-18-9-5-6-10-18/h2-4,7-8,11-14,18H,5-6,9-10,15-16H2,1H3,(H2,23,24,26,27).
What are the key properties of 2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide?
2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-benzyl-4-methoxyanilino)-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 41479536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).