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

C18H19N3O3 — CID 86784319

IUPAC2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide
SMILESNC(C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1
InChIInChI=1S/C18H19N3O3/c19-17(14-6-2-1-3-7-14)18(22)20(15-9-10-15)12-13-5-4-8-16(11-13)21(23)24/h1-8,11,15,17H,9-10,12,19H2
InChIKeyLHUHNIFVBGHTPD-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.79
Rot. Bonds6

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

2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide (PubChem CID 86784319) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide
PubChem CID86784319
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide
SMILESNC(C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1
InChIInChI=1S/C18H19N3O3/c19-17(14-6-2-1-3-7-14)18(22)20(15-9-10-15)12-13-5-4-8-16(11-13)21(23)24/h1-8,11,15,17H,9-10,12,19H2
InChIKeyLHUHNIFVBGHTPD-UHFFFAOYSA-N
XLogP2.79
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.79
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

(2R)-2-amino-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61168373
3-[[cyclopropyl-[(3-nitrophenyl)methyl]carbamoyl]amino]propanoic acid
CID 122018507
benzyl (2S)-2-amino-2-(3-nitrophenyl)acetate
CID 141214961
N-[(3-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650369
2-[cyclopropyl-[2-(3-nitrophenyl)acetyl]amino]propanoic acid
CID 119202503
(2R)-2-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]propanamide
CID 99704867
2-amino-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 54871470
2-[cyclopentyl-[(3-nitrophenyl)methyl]amino]acetic acid
CID 60833489
(2R)-2-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 61162622
2-amino-N-cyclopropyl-N-(2-methoxyethyl)-2-phenylacetamide
CID 54872258
3-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-phenylpropanamide
CID 119715345
N-cyclopropyl-5-methyl-N-[(3-nitrophenyl)methyl]-1H-pyrazole-3-carboxamide
CID 71914873

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide?
The IUPAC name of 2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide (CID 86784319) is 2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide?
The canonical SMILES for 2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide is NC(C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)c1ccccc1.
What is the InChIKey of 2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide?
The InChIKey is LHUHNIFVBGHTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c19-17(14-6-2-1-3-7-14)18(22)20(15-9-10-15)12-13-5-4-8-16(11-13)21(23)24/h1-8,11,15,17H,9-10,12,19H2.
What are the key properties of 2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide?
2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide has a molecular weight of 325.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropyl-N-[(3-nitrophenyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 86784319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).