2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide

C16H21N3O4 — CID 51272573

IUPAC2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCC(=O)NC(C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCCC1
InChIInChI=1S/C16H21N3O4/c1-10-13(8-5-9-14(10)19(22)23)18-16(21)15(17-11(2)20)12-6-3-4-7-12/h5,8-9,12,15H,3-4,6-7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQIKXPDDFUQUVMU-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.54
Rot. Bonds5

About 2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide

2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 51272573) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID51272573
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCC(=O)NC(C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCCC1
InChIInChI=1S/C16H21N3O4/c1-10-13(8-5-9-14(10)19(22)23)18-16(21)15(17-11(2)20)12-6-3-4-7-12/h5,8-9,12,15H,3-4,6-7H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyQIKXPDDFUQUVMU-UHFFFAOYSA-N
XLogP2.54
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-acetamido-2-cyclopentylacetyl)amino]-2-methylbenzamide
CID 86982911
2-cyclohexyl-2-(2-methyl-3-nitroanilino)acetic acid
CID 63077083
2-acetamido-2-cyclopentyl-N-(2-methylphenyl)acetamide
CID 47126825
1-(1-cyclopropyl-2,2-difluoroethyl)-3-(2-methyl-3-nitrophenyl)urea
CID 127266317
2-acetamido-2-cyclopentyl-N-(2,3-dichlorophenyl)acetamide
CID 51272483
2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 9395610
cis-(1S,2R)-2-[(2-methyl-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6920123
1-(1-acetylazetidin-3-yl)-3-(2-methyl-3-nitrophenyl)urea
CID 126821448
cis-(1R,2S)-2-[(2-methyl-3-nitrophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 675791
(2R)-N-(2-methyl-3-nitrophenyl)piperidine-2-carboxamide
CID 104913038
3-cyclohexyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 890273
2-acetamido-2-cyclopentyl-N-(4-methylsulfonylphenyl)acetamide
CID 51272392

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide (CID 51272573) is 2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide is CC(=O)NC(C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCCC1.
What is the InChIKey of 2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is QIKXPDDFUQUVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10-13(8-5-9-14(10)19(22)23)18-16(21)15(17-11(2)20)12-6-3-4-7-12/h5,8-9,12,15H,3-4,6-7H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide?
2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 319.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-cyclopentyl-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 51272573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).