N-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide

C21H32N2O — CID 42869951

IUPACN-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C)C(=O)N(CC1CNCC1c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H32N2O/c1-16(2)21(24)23(19-11-7-4-8-12-19)15-18-13-22-14-20(18)17-9-5-3-6-10-17/h3,5-6,9-10,16,18-20,22H,4,7-8,11-15H2,1-2H3
InChIKeyOPVQYRJIGAAWQO-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.81
Rot. Bonds5

About N-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide

N-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 42869951) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide
PubChem CID42869951
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC NameN-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide
SMILESCC(C)C(=O)N(CC1CNCC1c1ccccc1)C1CCCCC1
InChIInChI=1S/C21H32N2O/c1-16(2)21(24)23(19-11-7-4-8-12-19)15-18-13-22-14-20(18)17-9-5-3-6-10-17/h3,5-6,9-10,16,18-20,22H,4,7-8,11-15H2,1-2H3
InChIKeyOPVQYRJIGAAWQO-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of N-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide (CID 42869951) is N-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for N-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide is CC(C)C(=O)N(CC1CNCC1c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is OPVQYRJIGAAWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-16(2)21(24)23(19-11-7-4-8-12-19)15-18-13-22-14-20(18)17-9-5-3-6-10-17/h3,5-6,9-10,16,18-20,22H,4,7-8,11-15H2,1-2H3.
What are the key properties of N-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide?
N-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 328.50 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-N-[(4-phenylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 42869951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).