N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide

C14H19N3O4 — CID 115737293

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(=O)NC(C)(CN)C2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-14(8-15,10-4-5-10)16-13(18)9-3-6-11(17(19)20)12(7-9)21-2/h3,6-7,10H,4-5,8,15H2,1-2H3,(H,16,18)
InChIKeyGYTNLKUORRGQER-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.46
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide

N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide (PubChem CID 115737293) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide
PubChem CID115737293
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide
SMILESCOc1cc(C(=O)NC(C)(CN)C2CC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-14(8-15,10-4-5-10)16-13(18)9-3-6-11(17(19)20)12(7-9)21-2/h3,6-7,10H,4-5,8,15H2,1-2H3,(H,16,18)
InChIKeyGYTNLKUORRGQER-UHFFFAOYSA-N
XLogP1.46
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119572342
N-(1-amino-2-cyclopropylpropan-2-yl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119575855
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide
CID 81485410
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dimethylbenzamide;hydrochloride
CID 119575673
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119575867
N-(1-amino-2-cyclopropylpropan-2-yl)-4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzamide;hydrochloride
CID 119575637
N-(1-amino-2-cyclopropylpropan-2-yl)-5-fluoro-2-nitrobenzamide;hydrochloride
CID 119574662
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-dimethoxy-2-methylbenzamide
CID 119575042
N-[2-(cycloheptylamino)ethyl]-3-methoxy-4-nitrobenzamide
CID 119620213
N-(1-amino-2-cyclopropylpropan-2-yl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide;hydrochloride
CID 119572335
N-(1-amino-2-cyclopropylpropan-2-yl)-4-hydroxy-3-methylbenzamide
CID 107672234
N-(1-amino-2-cyclopropylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119575617

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide (CID 115737293) is N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide is COc1cc(C(=O)NC(C)(CN)C2CC2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide?
The InChIKey is GYTNLKUORRGQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(8-15,10-4-5-10)16-13(18)9-3-6-11(17(19)20)12(7-9)21-2/h3,6-7,10H,4-5,8,15H2,1-2H3,(H,16,18).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-nitrobenzamide is sourced from PubChem (CID 115737293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).