N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide

C15H21NO2 — CID 115643598

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1(O)CCC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-13(12-7-4-3-5-8-12)14(17)16-11-15(18)9-6-10-15/h3-5,7-8,13,18H,2,6,9-11H2,1H3,(H,16,17)
InChIKeyNLHBGVRPPQMOEK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.21
Rot. Bonds5

About N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide

N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide (PubChem CID 115643598) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
PubChem CID115643598
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC1(O)CCC1)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-13(12-7-4-3-5-8-12)14(17)16-11-15(18)9-6-10-15/h3-5,7-8,13,18H,2,6,9-11H2,1H3,(H,16,17)
InChIKeyNLHBGVRPPQMOEK-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide
CID 110427438
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
CID 103970144
N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide
CID 119404563
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylbutanamide
CID 114757941
2-chloro-N-[(1-hydroxycyclopentyl)methyl]-2-phenylacetamide
CID 65105279
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
N-[(1-hydroxycyclopentyl)methyl]-3-phenylbutanamide
CID 110626464
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide
CID 103812586
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 120887701
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
2-phenyl-N-(piperidin-1-ylmethyl)butanamide
CID 117066964

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide (CID 115643598) is N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide is CCC(C(=O)NCC1(O)CCC1)c1ccccc1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide?
The InChIKey is NLHBGVRPPQMOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-13(12-7-4-3-5-8-12)14(17)16-11-15(18)9-6-10-15/h3-5,7-8,13,18H,2,6,9-11H2,1H3,(H,16,17).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide?
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide has a molecular weight of 247.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 115643598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).