2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide

C14H19N3O4 — CID 62035212

IUPAC2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-10(2)15-14(19)9-16(3)8-13(18)11-5-4-6-12(7-11)17(20)21/h4-7,10H,8-9H2,1-3H3,(H,15,19)
InChIKeyICZYECCSKBAAKR-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.23
Rot. Bonds7

About 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide

2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide (PubChem CID 62035212) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
PubChem CID62035212
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H19N3O4/c1-10(2)15-14(19)9-16(3)8-13(18)11-5-4-6-12(7-11)17(20)21/h4-7,10H,8-9H2,1-3H3,(H,15,19)
InChIKeyICZYECCSKBAAKR-UHFFFAOYSA-N
XLogP1.23
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-methyl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9475347
2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide
CID 62050793
2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62036179
2-(dimethylamino)-1-(3-nitrophenyl)ethanone
CID 43219662
2-[[2-(3-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681718
2-methyl-3-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]propanenitrile
CID 62051688
2-[3-(dimethylamino)propyl-methylamino]-1-(3-nitrophenyl)ethanone
CID 63699021
2-[methyl(2-methylbutan-2-yl)amino]-1-(3-nitrophenyl)ethanone
CID 63965089
2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 62035213
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-nitrophenyl)ethanone
CID 62029393
2-[methyl(oxan-4-ylmethyl)amino]-1-(3-nitrophenyl)ethanone
CID 63711390
N-methyl-4-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9475365

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide (CID 62035212) is 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide?
The InChIKey is ICZYECCSKBAAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10(2)15-14(19)9-16(3)8-13(18)11-5-4-6-12(7-11)17(20)21/h4-7,10H,8-9H2,1-3H3,(H,15,19).
What are the key properties of 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide?
2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 293.32 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62035212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).