N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide

C16H23NO3 — CID 111539402

IUPACN-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide
SMILESCC(CCOc1ccccc1)C(=O)NCC1(O)CCC1
InChIInChI=1S/C16H23NO3/c1-13(8-11-20-14-6-3-2-4-7-14)15(18)17-12-16(19)9-5-10-16/h2-4,6-7,13,19H,5,8-12H2,1H3,(H,17,18)
InChIKeyQLDRMWZDVMYWFR-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.12
Rot. Bonds7

About N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide

N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide (PubChem CID 111539402) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide
PubChem CID111539402
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide
SMILESCC(CCOc1ccccc1)C(=O)NCC1(O)CCC1
InChIInChI=1S/C16H23NO3/c1-13(8-11-20-14-6-3-2-4-7-14)15(18)17-12-16(19)9-5-10-16/h2-4,6-7,13,19H,5,8-12H2,1H3,(H,17,18)
InChIKeyQLDRMWZDVMYWFR-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-2-methyl-4-phenoxybutanamide
CID 111499089
1-[[(2S)-2-methyl-4-phenoxybutanoyl]amino]cyclopentane-1-carboxamide
CID 97087003
N-[(1-hydroxycyclohexyl)methyl]-4-methoxy-2-methylbutanamide
CID 111539886
2,2-dimethyl-3-[(2-methyl-4-phenoxybutanoyl)amino]propanoic acid
CID 119250425
N-(2-hydroxy-2,3-dimethylbutyl)-2-methyl-4-phenoxybutanamide
CID 111499105
1-[(2-phenoxyethylamino)methyl]cyclopentan-1-ol
CID 65111917
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598
2-[(2-methyl-4-phenoxybutanoyl)amino]butanoic acid
CID 119224246
1-[(1-hydroxycyclobutyl)methyl]-3-[(4-phenylmethoxyphenyl)methyl]urea
CID 111438140
N-[(1-hydroxycyclohexyl)methyl]-2-phenylmethoxypropanamide
CID 64868042
5-[[(2-methyl-4-phenoxybutanoyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110538
(2R)-2-methoxy-N-[[1-(phenoxymethyl)cyclopropyl]methyl]propanamide
CID 126423849

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide (CID 111539402) is N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide is CC(CCOc1ccccc1)C(=O)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide?
The InChIKey is QLDRMWZDVMYWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13(8-11-20-14-6-3-2-4-7-14)15(18)17-12-16(19)9-5-10-16/h2-4,6-7,13,19H,5,8-12H2,1H3,(H,17,18).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide?
N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide has a molecular weight of 277.36 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-2-methyl-4-phenoxybutanamide is sourced from PubChem (CID 111539402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).