N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide

C14H19N3O4 — CID 103082472

IUPACN-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)NC2CCC(OC)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-15-12-6-3-9(7-13(12)17(19)20)14(18)16-10-4-5-11(8-10)21-2/h3,6-7,10-11,15H,4-5,8H2,1-2H3,(H,16,18)
InChIKeyHVRQFQLFXDIIDJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.93
Rot. Bonds5

About N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide

N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide (PubChem CID 103082472) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide
PubChem CID103082472
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide
SMILESCNc1ccc(C(=O)NC2CCC(OC)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-15-12-6-3-9(7-13(12)17(19)20)14(18)16-10-4-5-11(8-10)21-2/h3,6-7,10-11,15H,4-5,8H2,1-2H3,(H,16,18)
InChIKeyHVRQFQLFXDIIDJ-UHFFFAOYSA-N
XLogP1.93
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.93
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-(3-methoxycyclopentyl)-4-(methylamino)-3-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

4-(methylamino)-N-(3-methylcyclobutyl)-3-nitrobenzamide
CID 115670988
4-(methylamino)-N-(2-methyloxan-4-yl)-3-nitrobenzamide
CID 103888209
5-chloro-N-(3-methoxycyclopentyl)-2-nitrobenzamide
CID 103082421
N-(cyclopropylmethyl)-4-(methylamino)-3-nitrobenzamide
CID 33451394
4-(cyclopropylamino)-N-(1-methylpiperidin-4-yl)-3-nitrobenzamide
CID 31098173
N-cyclohexyl-4-(cyclohexylamino)-3-nitrobenzamide
CID 2959407
4-(2-methoxyethylamino)-N-(4-methylcyclohexyl)-3-nitrobenzamide
CID 51255159
N-cyclopropyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-nitrobenzamide
CID 34000828
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
3-hydroxy-4-methoxy-N-(3-methoxycyclopentyl)benzamide
CID 103099443
4-(cyclopropylamino)-3-nitro-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450971
N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 51254591

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide?
The IUPAC name of N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide (CID 103082472) is N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide.
What is the SMILES notation for N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide?
The canonical SMILES for N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide is CNc1ccc(C(=O)NC2CCC(OC)C2)cc1[N+](=O)[O-].
What is the InChIKey of N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide?
The InChIKey is HVRQFQLFXDIIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-15-12-6-3-9(7-13(12)17(19)20)14(18)16-10-4-5-11(8-10)21-2/h3,6-7,10-11,15H,4-5,8H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide?
N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide has a molecular weight of 293.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclopentyl)-4-(methylamino)-3-nitrobenzamide is sourced from PubChem (CID 103082472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).