4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide

C18H27N3O — CID 12883727

IUPAC4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)[C@@H]1CCN(C2CCCCC2)C1
InChIInChI=1S/C18H27N3O/c1-20(18(22)14-7-9-15(19)10-8-14)17-11-12-21(13-17)16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-13,19H2,1H3/t17-/m1/s1
InChIKeyBCZLLYRBOISBCG-QGZVFWFLSA-N
MW301.43 g/mol
LogP2.75
Rot. Bonds3

About 4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide

4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide (PubChem CID 12883727) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide
PubChem CID12883727
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)[C@@H]1CCN(C2CCCCC2)C1
InChIInChI=1S/C18H27N3O/c1-20(18(22)14-7-9-15(19)10-8-14)17-11-12-21(13-17)16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-13,19H2,1H3/t17-/m1/s1
InChIKeyBCZLLYRBOISBCG-QGZVFWFLSA-N
XLogP2.75
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide
CID 69251373
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide
CID 25119560
N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 58689193
N-(1-cyclobutylpiperidin-3-yl)-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 69248116
4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide
CID 68763667
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
N-[1-(4-aminocyclohexyl)pyrrolidin-3-yl]-N-methyl-3-[methyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrolidine-1-carboxamide
CID 140504489
4-amino-N-(1-cyclohexylpyrrolidin-1-ium-3-yl)-N-methylbenzamide;(E)-4-hydroxy-4-oxobut-2-enoate
CID 6435699
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969
N-[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-4-ethenyl-N-methylbenzamide
CID 42214630

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide?
The IUPAC name of 4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide (CID 12883727) is 4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide?
The canonical SMILES for 4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide is CN(C(=O)c1ccc(N)cc1)[C@@H]1CCN(C2CCCCC2)C1.
What is the InChIKey of 4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide?
The InChIKey is BCZLLYRBOISBCG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O/c1-20(18(22)14-7-9-15(19)10-8-14)17-11-12-21(13-17)16-5-3-2-4-6-16/h7-10,16-17H,2-6,11-13,19H2,1H3/t17-/m1/s1.
What are the key properties of 4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide?
4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide has a molecular weight of 301.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 12883727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).