2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one

C14H21NO2 — CID 82100962

IUPAC2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one
SMILESCCC(C)NC(C)C(=O)c1ccccc1OC
InChIInChI=1S/C14H21NO2/c1-5-10(2)15-11(3)14(16)12-8-6-7-9-13(12)17-4/h6-11,15H,5H2,1-4H3
InChIKeyYXUQUPLKPQURJR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.65
Rot. Bonds6

About 2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one

2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one (PubChem CID 82100962) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one
PubChem CID82100962
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one
SMILESCCC(C)NC(C)C(=O)c1ccccc1OC
InChIInChI=1S/C14H21NO2/c1-5-10(2)15-11(3)14(16)12-8-6-7-9-13(12)17-4/h6-11,15H,5H2,1-4H3
InChIKeyYXUQUPLKPQURJR-UHFFFAOYSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-methoxybenzamide
CID 3117660
2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one
CID 82100905
N-butan-2-yl-2-[(2-methoxybenzoyl)amino]benzamide
CID 3936748
1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one
CID 82100978
1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one
CID 82101006
2-(butan-2-ylamino)-2-(2-methoxyphenyl)acetamide
CID 54907954
(3R)-3-[(2-methoxybenzoyl)amino]butanoic acid
CID 93262749
[butan-2-yl-(2-methoxybenzoyl)phosphoryl]-(2-methoxyphenyl)methanone
CID 21217250
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173108274
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635
ethyl (2S)-3-(2-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035566

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one (CID 82100962) is 2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one is CCC(C)NC(C)C(=O)c1ccccc1OC.
What is the InChIKey of 2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one?
The InChIKey is YXUQUPLKPQURJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-10(2)15-11(3)14(16)12-8-6-7-9-13(12)17-4/h6-11,15H,5H2,1-4H3.
What are the key properties of 2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one?
2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one has a molecular weight of 235.33 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 82100962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).