3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide

C16H21N3O4 — CID 12044454

IUPAC3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide
SMILESCNC(=O)NC(=O)C(CC1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H21N3O4/c1-17-16(21)18-15(20)14(10-11-4-2-3-5-11)12-6-8-13(9-7-12)19(22)23/h6-9,11,14H,2-5,10H2,1H3,(H2,17,18,20,21)
InChIKeyMMQUFTWSIKXRGI-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.71
Rot. Bonds5

About 3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide

3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide (PubChem CID 12044454) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide
PubChem CID12044454
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide
SMILESCNC(=O)NC(=O)C(CC1CCCC1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H21N3O4/c1-17-16(21)18-15(20)14(10-11-4-2-3-5-11)12-6-8-13(9-7-12)19(22)23/h6-9,11,14H,2-5,10H2,1H3,(H2,17,18,20,21)
InChIKeyMMQUFTWSIKXRGI-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
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

5-Methyl-5-(4-nitro-phenyl)-imidazolidine-2,4-dione
CID 3119445
3-(2-(Dimethylamino)ethyl)-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 3095535
N-((3-Nitrophenyl)((phenylacetyl)amino)methyl)-2-phenylacetamide
CID 1352002
N-cycloheptyl-2-(4-nitrophenyl)propanamide
CID 2944341
N-(1-Methyl-2-phenyl-ethyl)-2-(4-nitro-phenyl)-acetamide
CID 3104541
N-cycloheptyl-2-(4-nitrophenyl)acetamide
CID 3546661
1-[2-(4-Nitrophenyl)propanoyl]pyrrolidine
CID 2944521
N-(3-methylbutyl)-2-(2-nitrophenyl)acetamide
CID 873637
N,N'-[(3-nitrophenyl)methylene]bis(3-methylbutanamide)
CID 2268693
N-(1-methyl-3-phenylpropyl)-2-(4-nitrophenyl)acetamide
CID 2914298
2-(4-nitrophenyl)-N-(2,2,6,6-tetramethyl-4-piperidinyl)propanamide
CID 2944026
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(4-nitrophenyl)propanamide
CID 2944638

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide (CID 12044454) is 3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide is CNC(=O)NC(=O)C(CC1CCCC1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide?
The InChIKey is MMQUFTWSIKXRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-17-16(21)18-15(20)14(10-11-4-2-3-5-11)12-6-8-13(9-7-12)19(22)23/h6-9,11,14H,2-5,10H2,1H3,(H2,17,18,20,21).
What are the key properties of 3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide?
3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide has a molecular weight of 319.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(methylcarbamoyl)-2-(4-nitrophenyl)propanamide is sourced from PubChem (CID 12044454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).