2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide

C16H17N3O3 — CID 34020532

IUPAC2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O3/c1-18(11-13-6-5-9-15(10-13)19(21)22)12-16(20)17-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,17,20)
InChIKeyDDRCPDBKULXDAF-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.67
Rot. Bonds6

About 2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide

2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide (PubChem CID 34020532) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide
PubChem CID34020532
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H17N3O3/c1-18(11-13-6-5-9-15(10-13)19(21)22)12-16(20)17-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,17,20)
InChIKeyDDRCPDBKULXDAF-UHFFFAOYSA-N
XLogP2.67
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
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-[(3-fluorophenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8961793
2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8761647
N-(3-fluorophenyl)-2-[methyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 9250556
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 9104098
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[(3-methoxyphenyl)methyl-methylamino]-N-(4-phenylphenyl)acetamide
CID 8794801
2-[(4-methoxyphenyl)methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]-N-(3-nitrophenyl)acetamide
CID 3933915
2-[(3-fluorophenyl)methyl-methylamino]-N-(2-nitrophenyl)acetamide
CID 8961830
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-nitrophenyl)acetamide
CID 9286571

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide (CID 34020532) is 2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide is CN(CC(=O)Nc1ccccc1)Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide?
The InChIKey is DDRCPDBKULXDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-18(11-13-6-5-9-15(10-13)19(21)22)12-16(20)17-14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,17,20).
What are the key properties of 2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide?
2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide has a molecular weight of 299.33 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide is sourced from PubChem (CID 34020532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).