4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide

C22H27N3O3 — CID 16576369

IUPAC4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CN(C)C2CCCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-25(18-7-3-4-8-18)15-21(26)23-17-13-11-16(12-14-17)22(27)24-19-9-5-6-10-20(19)28-2/h5-6,9-14,18H,3-4,7-8,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUBXMAZHOFCMIJB-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.76
Rot. Bonds7

About 4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide

4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide (PubChem CID 16576369) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
PubChem CID16576369
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CN(C)C2CCCC2)cc1
InChIInChI=1S/C22H27N3O3/c1-25(18-7-3-4-8-18)15-21(26)23-17-13-11-16(12-14-17)22(27)24-19-9-5-6-10-20(19)28-2/h5-6,9-14,18H,3-4,7-8,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyUBXMAZHOFCMIJB-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-cyclopentylacetyl)amino]-N-(2-methoxyphenyl)benzamide
CID 9244990
N-[4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 16576405
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863287
4-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 8583822
4-[3-[cyclopropyl-(4-methylcyclohexyl)amino]propanoylamino]-N-(2-methoxyphenyl)benzamide
CID 56525116
N-(2-methoxyphenyl)-4-[[2-(2-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 16554821
4-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 11940884
N-(2-methoxyphenyl)-4-[3-[methyl(oxolan-2-ylmethyl)amino]propanoylamino]benzamide
CID 56527051
4-[[2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 8930945
N-(2-methoxyphenyl)-4-[[2-[methyl(3-phenylpropyl)amino]acetyl]amino]benzamide
CID 55850982
4-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 4788052
4-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 51170589

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The IUPAC name of 4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide (CID 16576369) is 4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The canonical SMILES for 4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CN(C)C2CCCC2)cc1.
What is the InChIKey of 4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
The InChIKey is UBXMAZHOFCMIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-25(18-7-3-4-8-18)15-21(26)23-17-13-11-16(12-14-17)22(27)24-19-9-5-6-10-20(19)28-2/h5-6,9-14,18H,3-4,7-8,15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide?
4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide has a molecular weight of 381.48 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[cyclopentyl(methyl)amino]acetyl]amino]-N-(2-methoxyphenyl)benzamide is sourced from PubChem (CID 16576369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).