3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide

C17H23N3O3 — CID 86982911

IUPAC3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide
SMILESCC(=O)NC(C(=O)Nc1cccc(C(N)=O)c1C)C1CCCC1
InChIInChI=1S/C17H23N3O3/c1-10-13(16(18)22)8-5-9-14(10)20-17(23)15(19-11(2)21)12-6-3-4-7-12/h5,8-9,12,15H,3-4,6-7H2,1-2H3,(H2,18,22)(H,19,21)(H,20,23)
InChIKeyQGDLAXNLWNJFGF-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.73
Rot. Bonds5

About 3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide

3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide (PubChem CID 86982911) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide
PubChem CID86982911
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide
SMILESCC(=O)NC(C(=O)Nc1cccc(C(N)=O)c1C)C1CCCC1
InChIInChI=1S/C17H23N3O3/c1-10-13(16(18)22)8-5-9-14(10)20-17(23)15(19-11(2)21)12-6-3-4-7-12/h5,8-9,12,15H,3-4,6-7H2,1-2H3,(H2,18,22)(H,19,21)(H,20,23)
InChIKeyQGDLAXNLWNJFGF-UHFFFAOYSA-N
XLogP1.73
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-2-cyclopentyl-N-(2-methylphenyl)acetamide
CID 47126825
2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 51272573
2-acetamido-2-cyclopentyl-N-(2,3-dichlorophenyl)acetamide
CID 51272483
2-acetamido-N-(2-chlorophenyl)-2-cyclopentylacetamide
CID 42885299
(2S)-2-acetamido-2-cyclopentyl-N-(2,4-dimethylphenyl)acetamide
CID 51562307
(2R)-2-acetamido-2-cyclopentyl-N-(2-ethoxyphenyl)acetamide
CID 40938974
2-acetamido-N-(5-chloro-2-methylphenyl)-2-cyclopentylacetamide
CID 51272260
2-acetamido-N-(4-chloro-2-methylphenyl)-2-cyclopentylacetamide
CID 51272169
4-(3-carbamoyl-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497085
(2R)-2-acetamido-2-cyclopentyl-N-(6-phenylpyridazin-3-yl)acetamide
CID 97027786
2-methyl-3-(propan-2-ylamino)benzamide
CID 43694179
(2S)-2-acetamido-2-cyclopentylacetamide
CID 177134286

Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide?
The IUPAC name of 3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide (CID 86982911) is 3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide.
What is the SMILES notation for 3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide?
The canonical SMILES for 3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide is CC(=O)NC(C(=O)Nc1cccc(C(N)=O)c1C)C1CCCC1.
What is the InChIKey of 3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide?
The InChIKey is QGDLAXNLWNJFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10-13(16(18)22)8-5-9-14(10)20-17(23)15(19-11(2)21)12-6-3-4-7-12/h5,8-9,12,15H,3-4,6-7H2,1-2H3,(H2,18,22)(H,19,21)(H,20,23).
What are the key properties of 3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide?
3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide has a molecular weight of 317.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide is sourced from PubChem (CID 86982911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).