N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide

C21H31N3O — CID 69440556

IUPACN-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
SMILESNC1CCCCC1NC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O/c22-18-5-1-2-6-19(18)23-20(25)16-7-9-17(10-8-16)21(11-12-21)15-24-13-3-4-14-24/h7-10,18-19H,1-6,11-15,22H2,(H,23,25)
InChIKeyQMFCJPWKSWURHJ-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.81
Rot. Bonds5

About N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide

N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide (PubChem CID 69440556) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
PubChem CID69440556
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
SMILESNC1CCCCC1NC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O/c22-18-5-1-2-6-19(18)23-20(25)16-7-9-17(10-8-16)21(11-12-21)15-24-13-3-4-14-24/h7-10,18-19H,1-6,11-15,22H2,(H,23,25)
InChIKeyQMFCJPWKSWURHJ-UHFFFAOYSA-N
XLogP2.81
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide 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

3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide
CID 173179790
1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide
CID 173179794
4-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide
CID 173179783
N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 69491991
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-[(1S,2R)-2-aminocyclohexyl]benzamide
CID 15151854
N-[(1S,2S)-2-aminocyclohexyl]benzamide
CID 15151853
N-(2-aminocycloheptyl)-4-chlorobenzamide
CID 63258248
N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 173174589
N-(2-aminocyclohexyl)-4-(dimethylamino)benzamide
CID 61037234
N-(2-aminocyclohexyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 69439081
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 159696252

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide?
The IUPAC name of N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide (CID 69440556) is N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide?
The canonical SMILES for N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide is NC1CCCCC1NC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1.
What is the InChIKey of N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide?
The InChIKey is QMFCJPWKSWURHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c22-18-5-1-2-6-19(18)23-20(25)16-7-9-17(10-8-16)21(11-12-21)15-24-13-3-4-14-24/h7-10,18-19H,1-6,11-15,22H2,(H,23,25).
What are the key properties of N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide?
N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide has a molecular weight of 341.50 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide is sourced from PubChem (CID 69440556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).