4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide

C14H19N3O3 — CID 62159538

IUPAC4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide
SMILESCC(C)CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C14H19N3O3/c1-9(2)8-16(11-4-5-11)14(18)10-3-6-12(15)13(7-10)17(19)20/h3,6-7,9,11H,4-5,8,15H2,1-2H3
InChIKeyNVOXGFRNLQZYQE-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.44
Rot. Bonds5

About 4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide

4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide (PubChem CID 62159538) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide
PubChem CID62159538
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide
SMILESCC(C)CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1
InChIInChI=1S/C14H19N3O3/c1-9(2)8-16(11-4-5-11)14(18)10-3-6-12(15)13(7-10)17(19)20/h3,6-7,9,11H,4-5,8,15H2,1-2H3
InChIKeyNVOXGFRNLQZYQE-UHFFFAOYSA-N
XLogP2.44
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclopropyl-N-(2-methoxyethyl)-3-nitrobenzamide
CID 60812227
3-amino-N-cyclopropyl-4-fluoro-N-(2-methylpropyl)benzamide
CID 61107794
[2-[[(3R)-1,1-dioxothiolan-3-yl]-(2-methylpropyl)amino]-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 40834653
3-amino-N-cyclopropyl-N-ethyl-4-nitrobenzamide
CID 62683042
4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-3-nitrobenzamide
CID 109388408
4-amino-3-nitro-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119826016
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide
CID 7259814
4-amino-N-methyl-N-(4-methylpentan-2-yl)-3-nitrobenzamide
CID 46402417
4-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-3-nitrobenzamide
CID 60699382
[2-(3-methylbutylamino)-2-oxoethyl] 4-amino-3-nitrobenzoate
CID 7781475
4-amino-N-(5-methylhexan-2-yl)-3-nitrobenzamide
CID 60715123
4-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119292306

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide (CID 62159538) is 4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide is CC(C)CN(C(=O)c1ccc(N)c([N+](=O)[O-])c1)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide?
The InChIKey is NVOXGFRNLQZYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(2)8-16(11-4-5-11)14(18)10-3-6-12(15)13(7-10)17(19)20/h3,6-7,9,11H,4-5,8,15H2,1-2H3.
What are the key properties of 4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide?
4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide has a molecular weight of 277.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-(2-methylpropyl)-3-nitrobenzamide is sourced from PubChem (CID 62159538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).