2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide

C10H13N3O3 — CID 62504721

IUPAC2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
SMILESCNCC(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O3/c1-11-7-10(14)12-6-8-3-2-4-9(5-8)13(15)16/h2-5,11H,6-7H2,1H3,(H,12,14)
InChIKeyJDVLXPKPRWUKDQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.43
Rot. Bonds5

About 2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide

2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide (PubChem CID 62504721) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
PubChem CID62504721
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
SMILESCNCC(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O3/c1-11-7-10(14)12-6-8-3-2-4-9(5-8)13(15)16/h2-5,11H,6-7H2,1H3,(H,12,14)
InChIKeyJDVLXPKPRWUKDQ-UHFFFAOYSA-N
XLogP0.43
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.43
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

N-[(3-nitrophenyl)methyl]butanamide
CID 47450320
N-[(3-nitrophenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79270880
2-fluoro-N-[(3-nitrophenyl)methyl]acetamide
CID 174553789
2-nitro-N-[(3-nitrophenyl)methyl]acetamide
CID 12512112
4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide
CID 79192767
2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62505597
N-methyl-1-(3-nitrophenyl)methanamine;hydrochloride
CID 522947
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
N-[(3-nitrophenyl)methyl]but-2-enamide
CID 78978970
2-methyl-3-[(3-nitrophenyl)methylamino]-3-oxopropanoic acid
CID 114898347
3-[[[2-(methylamino)acetyl]amino]methyl]benzoic acid
CID 61162466

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide (CID 62504721) is 2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide is CNCC(=O)NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide?
The InChIKey is JDVLXPKPRWUKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-11-7-10(14)12-6-8-3-2-4-9(5-8)13(15)16/h2-5,11H,6-7H2,1H3,(H,12,14).
What are the key properties of 2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide?
2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide has a molecular weight of 223.23 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 62504721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).