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

C12H15N3O3 — CID 62505597

IUPAC2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide
SMILESO=C(CNC1CC1)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O3/c16-12(8-13-10-4-5-10)14-7-9-2-1-3-11(6-9)15(17)18/h1-3,6,10,13H,4-5,7-8H2,(H,14,16)
InChIKeyCDHSEGBUXCXIDS-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.96
Rot. Bonds6

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

2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide (PubChem CID 62505597) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide
PubChem CID62505597
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide
SMILESO=C(CNC1CC1)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H15N3O3/c16-12(8-13-10-4-5-10)14-7-9-2-1-3-11(6-9)15(17)18/h1-3,6,10,13H,4-5,7-8H2,(H,14,16)
InChIKeyCDHSEGBUXCXIDS-UHFFFAOYSA-N
XLogP0.96
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.96
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-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62504721
2-nitro-N-[(3-nitrophenyl)methyl]acetamide
CID 12512112
4-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 28615203
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide
CID 60647316
2-fluoro-N-[(3-nitrophenyl)methyl]acetamide
CID 174553789
N-[(3-nitrophenyl)methyl]butanamide
CID 47450320
N-[(3-nitrophenyl)methyl]cyclohexanamine;oxalic acid
CID 17367766
N-[(3-nitrophenyl)methyl]-2-(prop-2-ynylamino)acetamide
CID 79270880
4-hydroxy-N-[(3-nitrophenyl)methyl]butanamide
CID 79192767
N-[(3-nitrophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434614
N-cyclopropyl-2-[4-[(3-nitrophenyl)methylamino]phenyl]acetamide
CID 46158649
4-[(3-nitrophenyl)methylamino]piperidine-1-carboxamide
CID 62505759

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide (CID 62505597) is 2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide is O=C(CNC1CC1)NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide?
The InChIKey is CDHSEGBUXCXIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-12(8-13-10-4-5-10)14-7-9-2-1-3-11(6-9)15(17)18/h1-3,6,10,13H,4-5,7-8H2,(H,14,16).
What are the key properties of 2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide?
2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide has a molecular weight of 249.27 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(3-nitrophenyl)methyl]acetamide is sourced from PubChem (CID 62505597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).