N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide

C21H29N3O3 — CID 55594956

IUPACN-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
SMILESCC1CCC(N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C2CC2)CC1
InChIInChI=1S/C21H29N3O3/c1-15-4-7-17(8-5-15)23(18-9-10-18)21(25)16-6-11-19(20(14-16)24(26)27)22-12-2-3-13-22/h6,11,14-15,17-18H,2-5,7-10,12-13H2,1H3
InChIKeyZTVPEEJSTVKBMM-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.38
Rot. Bonds5

About N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide

N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide (PubChem CID 55594956) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
PubChem CID55594956
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide
SMILESCC1CCC(N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C2CC2)CC1
InChIInChI=1S/C21H29N3O3/c1-15-4-7-17(8-5-15)23(18-9-10-18)21(25)16-6-11-19(20(14-16)24(26)27)22-12-2-3-13-22/h6,11,14-15,17-18H,2-5,7-10,12-13H2,1H3
InChIKeyZTVPEEJSTVKBMM-UHFFFAOYSA-N
XLogP4.38
TPSA66.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
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'}

Analyze N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide 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-cyclohexyl-N-ethyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 18204669
2-[cyclopropyl-(3-nitro-4-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
CID 119202612
4-(4-methylazepan-1-yl)-3-nitrobenzoic acid
CID 63624097
N,N-dimethyl-4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzamide
CID 25347780
2-[methyl-[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]acetic acid
CID 119346119
N-methyl-4-(4-methylpiperidin-1-yl)-3-nitro-N-phenylbenzamide
CID 2960327
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 7111259
N-cyclohexyl-N-methyl-4-morpholin-4-yl-3-nitrobenzamide
CID 2969969
N-cyclopentyl-3-nitro-4-piperidin-1-ylbenzamide
CID 23738990
N-cycloheptyl-3-nitro-4-piperidin-1-ylbenzamide
CID 7312159
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 111543108
N-butyl-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide
CID 4805638

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide (CID 55594956) is N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide is CC1CCC(N(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C2CC2)CC1.
What is the InChIKey of N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide?
The InChIKey is ZTVPEEJSTVKBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-15-4-7-17(8-5-15)23(18-9-10-18)21(25)16-6-11-19(20(14-16)24(26)27)22-12-2-3-13-22/h6,11,14-15,17-18H,2-5,7-10,12-13H2,1H3.
What are the key properties of N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide?
N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide has a molecular weight of 371.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(4-methylcyclohexyl)-3-nitro-4-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 55594956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).