3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide

C14H22N2O — CID 142817154

IUPAC3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide
SMILESCCC(C)c1cccc(CC(NC)C(N)=O)c1
InChIInChI=1S/C14H22N2O/c1-4-10(2)12-7-5-6-11(8-12)9-13(16-3)14(15)17/h5-8,10,13,16H,4,9H2,1-3H3,(H2,15,17)
InChIKeyUCXXVRIQTINPFJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.82
Rot. Bonds6

About 3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide

3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide (PubChem CID 142817154) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide.

Molecular Properties

Compound Name3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide
PubChem CID142817154
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide
SMILESCCC(C)c1cccc(CC(NC)C(N)=O)c1
InChIInChI=1S/C14H22N2O/c1-4-10(2)12-7-5-6-11(8-12)9-13(16-3)14(15)17/h5-8,10,13,16H,4,9H2,1-3H3,(H2,15,17)
InChIKeyUCXXVRIQTINPFJ-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-butan-2-yl-3-ethylbenzene
CID 528681
1-benzyl-3-butan-2-ylbenzene
CID 15748559
2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide
CID 174410015
(2S)-2-[3-(2-methylpropyl)phenyl]propanamide
CID 124743513
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547
methyl (2R)-2-[3-(2-methylpropyl)phenyl]propanoate
CID 124604133
(2S)-3-[3-(aminomethyl)phenyl]-2-(methylamino)propanoic acid
CID 169024929
(2S,5S)-2-[(2S)-butan-2-yl]-5-(methylamino)-4-oxo-6-phenylhexanamide
CID 58071138
2-(methylamino)-3-(3-phenylphenyl)propanoic acid
CID 59021845
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
1-[(2R)-butan-2-yl]-3-[2-(4-methoxyphenyl)propyl]benzene
CID 155096208
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984

Frequently Asked Questions

What is the IUPAC name of 3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide?
The IUPAC name of 3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide (CID 142817154) is 3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide.
What is the SMILES notation for 3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide?
The canonical SMILES for 3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide is CCC(C)c1cccc(CC(NC)C(N)=O)c1.
What is the InChIKey of 3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide?
The InChIKey is UCXXVRIQTINPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-10(2)12-7-5-6-11(8-12)9-13(16-3)14(15)17/h5-8,10,13,16H,4,9H2,1-3H3,(H2,15,17).
What are the key properties of 3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide?
3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide has a molecular weight of 234.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-butan-2-ylphenyl)-2-(methylamino)propanamide is sourced from PubChem (CID 142817154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).