N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide

C19H29N3O — CID 22448041

IUPACN-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
SMILESCNC1CCN(CC(=O)Nc2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C19H29N3O/c1-20-18-11-12-22(13-18)14-19(23)21-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15,18,20H,2-6,11-14H2,1H3,(H,21,23)
InChIKeyTXSQUSVCKLZVMH-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.97
Rot. Bonds5

About N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide

N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide (PubChem CID 22448041) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
PubChem CID22448041
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
SMILESCNC1CCN(CC(=O)Nc2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C19H29N3O/c1-20-18-11-12-22(13-18)14-19(23)21-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15,18,20H,2-6,11-14H2,1H3,(H,21,23)
InChIKeyTXSQUSVCKLZVMH-UHFFFAOYSA-N
XLogP2.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-cyclohexylanilino)-2-oxoethyl]pyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 22448137
N-(4-chlorophenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493727
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride
CID 119918336
N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493231
N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 22448123
N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920227
2-[3-(methylamino)piperidin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 119919788
N-methyl-2-[(3S)-3-(methylamino)pyrrolidin-1-yl]acetamide
CID 170394930
N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 22448118

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide (CID 22448041) is N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide is CNC1CCN(CC(=O)Nc2ccc(C3CCCCC3)cc2)C1.
What is the InChIKey of N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide?
The InChIKey is TXSQUSVCKLZVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-20-18-11-12-22(13-18)14-19(23)21-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15,18,20H,2-6,11-14H2,1H3,(H,21,23).
What are the key properties of N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide?
N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide has a molecular weight of 315.46 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 22448041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).