N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide

C17H25NO — CID 110307449

IUPACN-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
SMILESCC(C)(CC(=O)NCC1CCCC1)c1ccccc1
InChIInChI=1S/C17H25NO/c1-17(2,15-10-4-3-5-11-15)12-16(19)18-13-14-8-6-7-9-14/h3-5,10-11,14H,6-9,12-13H2,1-2H3,(H,18,19)
InChIKeyLGEWFCUEQKMAQX-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.66
Rot. Bonds5

About N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide

N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide (PubChem CID 110307449) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
PubChem CID110307449
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
SMILESCC(C)(CC(=O)NCC1CCCC1)c1ccccc1
InChIInChI=1S/C17H25NO/c1-17(2,15-10-4-3-5-11-15)12-16(19)18-13-14-8-6-7-9-14/h3-5,10-11,14H,6-9,12-13H2,1-2H3,(H,18,19)
InChIKeyLGEWFCUEQKMAQX-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(cyclopentylmethylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43529089
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110026477
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
CID 109379723
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
2-anilino-N-(cyclopentylmethyl)acetamide;hydrochloride
CID 119718704
3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide
CID 110025148
5-(cyclobutylmethylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 62933861
2-cyclopentyl-N-(1,1-diphenylethyl)acetamide
CID 56522804
N-(4-acetamidobutyl)-3-methyl-3-phenylbutanamide
CID 110356790
N-(3-acetamidopropyl)-3-methyl-3-phenylbutanamide
CID 110309467
N-[2-[(3-methyl-3-phenylbutanoyl)amino]ethyl]benzamide
CID 110309389

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide?
The IUPAC name of N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide (CID 110307449) is N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide.
What is the SMILES notation for N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide?
The canonical SMILES for N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide is CC(C)(CC(=O)NCC1CCCC1)c1ccccc1.
What is the InChIKey of N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide?
The InChIKey is LGEWFCUEQKMAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2,15-10-4-3-5-11-15)12-16(19)18-13-14-8-6-7-9-14/h3-5,10-11,14H,6-9,12-13H2,1-2H3,(H,18,19).
What are the key properties of N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide?
N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide has a molecular weight of 259.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 110307449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).