N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide

C17H25NO2 — CID 110427466

IUPACN-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCCC(=O)NCC1(O)CCCC1
InChIInChI=1S/C17H25NO2/c1-14-7-2-3-8-15(14)9-6-10-16(19)18-13-17(20)11-4-5-12-17/h2-3,7-8,20H,4-6,9-13H2,1H3,(H,18,19)
InChIKeyQVRJUFYRQXVIHO-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.74
Rot. Bonds6

About N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide

N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide (PubChem CID 110427466) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
PubChem CID110427466
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
SMILESCc1ccccc1CCCC(=O)NCC1(O)CCCC1
InChIInChI=1S/C17H25NO2/c1-14-7-2-3-8-15(14)9-6-10-16(19)18-13-17(20)11-4-5-12-17/h2-3,7-8,20H,4-6,9-13H2,1H3,(H,18,19)
InChIKeyQVRJUFYRQXVIHO-UHFFFAOYSA-N
XLogP2.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-4-(2-methylphenyl)butanamide
CID 115271407
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
N-methyl-4-(2-methylphenyl)butanamide
CID 67667120
N-[(1-hydroxycyclobutyl)methyl]-4-(5-methylthiophen-2-yl)butanamide
CID 111859435
2-(2-bromophenyl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445871
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
4-(2-methylphenyl)butanamide
CID 22103596
N-[4-[(1-hydroxycyclohexyl)methylamino]-4-oxobutyl]benzamide
CID 111463218
4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 111560556
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2-methylphenyl)acetamide
CID 103969602
N-[(1-hydroxycycloheptyl)methyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148227

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide (CID 110427466) is N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide is Cc1ccccc1CCCC(=O)NCC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide?
The InChIKey is QVRJUFYRQXVIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-14-7-2-3-8-15(14)9-6-10-16(19)18-13-17(20)11-4-5-12-17/h2-3,7-8,20H,4-6,9-13H2,1H3,(H,18,19).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide?
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide has a molecular weight of 275.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide is sourced from PubChem (CID 110427466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).