2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one

C15H21NO2 — CID 114607534

IUPAC2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H21NO2/c1-18-9-8-14(16)15(17)13-7-3-6-12(10-13)11-4-2-5-11/h3,6-7,10-11,14H,2,4-5,8-9,16H2,1H3
InChIKeyDDXBIZHOKGOBRE-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.50
Rot. Bonds6

About 2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one

2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one (PubChem CID 114607534) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one
PubChem CID114607534
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)c1cccc(C2CCC2)c1
InChIInChI=1S/C15H21NO2/c1-18-9-8-14(16)15(17)13-7-3-6-12(10-13)11-4-2-5-11/h3,6-7,10-11,14H,2,4-5,8-9,16H2,1H3
InChIKeyDDXBIZHOKGOBRE-UHFFFAOYSA-N
XLogP2.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
CID 116567366
3-amino-1-(3-cyclobutylphenyl)pentan-1-one
CID 114607770
2-amino-1-(3,4-dimethylphenyl)-4-methoxybutan-1-one
CID 116567299
1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105135206
1-(3-cyclobutylphenyl)-3,5,5-trimethylhexan-1-one
CID 115814546
methyl 3-cyclohexylbenzoate
CID 67160762
1-(3-cyclobutylphenyl)-2-ethyl-2-methoxybutan-1-one
CID 114602128
2-amino-4-methoxy-1-quinolin-7-ylbutan-1-one
CID 116567245
(E)-1-(3-cyclobutylphenyl)pent-2-en-1-one
CID 103454372
(3-cyclobutylphenyl)-(1-methoxycycloheptyl)methanone
CID 114602144
2-amino-1-(4-ethylphenyl)-4-methoxybutan-1-one
CID 116567442
2-amino-1-(3-cyclohexylphenyl)ethanone
CID 83836181

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one?
The IUPAC name of 2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one (CID 114607534) is 2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one.
What is the SMILES notation for 2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one?
The canonical SMILES for 2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one is COCCC(N)C(=O)c1cccc(C2CCC2)c1.
What is the InChIKey of 2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one?
The InChIKey is DDXBIZHOKGOBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-9-8-14(16)15(17)13-7-3-6-12(10-13)11-4-2-5-11/h3,6-7,10-11,14H,2,4-5,8-9,16H2,1H3.
What are the key properties of 2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one?
2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-cyclobutylphenyl)-4-methoxybutan-1-one is sourced from PubChem (CID 114607534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).