N-methyl-2-[(4-nitrophenyl)methylamino]acetamide

C10H13N3O3 — CID 43214518

IUPACN-methyl-2-[(4-nitrophenyl)methylamino]acetamide
SMILESCNC(=O)CNCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O3/c1-11-10(14)7-12-6-8-2-4-9(5-3-8)13(15)16/h2-5,12H,6-7H2,1H3,(H,11,14)
InChIKeyDMAAHPYEQOWIDN-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.43
Rot. Bonds5

About N-methyl-2-[(4-nitrophenyl)methylamino]acetamide

N-methyl-2-[(4-nitrophenyl)methylamino]acetamide (PubChem CID 43214518) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-methyl-2-[(4-nitrophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(4-nitrophenyl)methylamino]acetamide
PubChem CID43214518
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-methyl-2-[(4-nitrophenyl)methylamino]acetamide
SMILESCNC(=O)CNCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H13N3O3/c1-11-10(14)7-12-6-8-2-4-9(5-3-8)13(15)16/h2-5,12H,6-7H2,1H3,(H,11,14)
InChIKeyDMAAHPYEQOWIDN-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

2-[(4-nitrophenyl)methylamino]-N-propan-2-ylacetamide
CID 43399991
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164
2-[(4-nitrophenyl)methylamino]-N-phenylacetamide
CID 60875406
2-methyl-N-[(4-nitrophenyl)methyl]prop-2-en-1-amine
CID 62331333
N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
CID 60691812
2-[(3-fluoro-5-nitrophenyl)methylamino]-N-methylacetamide
CID 112646650
2-(benzylamino)-N-(4-nitrophenyl)acetamide
CID 2985655
N-cyclopropyl-N-methyl-2-[(4-nitrophenyl)methylamino]acetamide
CID 61488726
1-(4-methylphenyl)-N-[(4-nitrophenyl)methyl]methanamine;hydrochloride
CID 17332527
N-tert-butyl-3-[(4-nitrophenyl)methylamino]propanamide
CID 115605393
2,2-dimethyl-N-[(4-nitrophenyl)methyl]propan-1-amine
CID 61167196
2-(tert-butylamino)-N-[(4-nitrophenyl)methyl]acetamide
CID 49489257

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-nitrophenyl)methylamino]acetamide?
The IUPAC name of N-methyl-2-[(4-nitrophenyl)methylamino]acetamide (CID 43214518) is N-methyl-2-[(4-nitrophenyl)methylamino]acetamide.
What is the SMILES notation for N-methyl-2-[(4-nitrophenyl)methylamino]acetamide?
The canonical SMILES for N-methyl-2-[(4-nitrophenyl)methylamino]acetamide is CNC(=O)CNCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-methyl-2-[(4-nitrophenyl)methylamino]acetamide?
The InChIKey is DMAAHPYEQOWIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-11-10(14)7-12-6-8-2-4-9(5-3-8)13(15)16/h2-5,12H,6-7H2,1H3,(H,11,14).
What are the key properties of N-methyl-2-[(4-nitrophenyl)methylamino]acetamide?
N-methyl-2-[(4-nitrophenyl)methylamino]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 N-methyl-2-[(4-nitrophenyl)methylamino]acetamide is sourced from PubChem (CID 43214518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).