3-(2-methylbutylamino)-N-phenylbutanamide

C15H24N2O — CID 114244260

IUPAC3-(2-methylbutylamino)-N-phenylbutanamide
SMILESCCC(C)CNC(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-12(2)11-16-13(3)10-15(18)17-14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3,(H,17,18)
InChIKeySNZKXHBLXKRGSN-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.04
Rot. Bonds7

About 3-(2-methylbutylamino)-N-phenylbutanamide

3-(2-methylbutylamino)-N-phenylbutanamide (PubChem CID 114244260) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(2-methylbutylamino)-N-phenylbutanamide.

Molecular Properties

Compound Name3-(2-methylbutylamino)-N-phenylbutanamide
PubChem CID114244260
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(2-methylbutylamino)-N-phenylbutanamide
SMILESCCC(C)CNC(C)CC(=O)Nc1ccccc1
InChIInChI=1S/C15H24N2O/c1-4-12(2)11-16-13(3)10-15(18)17-14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3,(H,17,18)
InChIKeySNZKXHBLXKRGSN-UHFFFAOYSA-N
XLogP3.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-difluoroethylamino)-N-phenylbutanamide
CID 114244264
3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide
CID 111755628
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
CID 97019379
3-[(2-hydroxy-2-naphthalen-2-ylethyl)amino]-N-phenylbutanamide
CID 111755518
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
3-amino-N-phenylpentanamide
CID 79006475
(3S)-3-methyl-N-(phenylcarbamoyl)pentanamide
CID 12951440
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
(3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide
CID 97019377

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutylamino)-N-phenylbutanamide?
The IUPAC name of 3-(2-methylbutylamino)-N-phenylbutanamide (CID 114244260) is 3-(2-methylbutylamino)-N-phenylbutanamide.
What is the SMILES notation for 3-(2-methylbutylamino)-N-phenylbutanamide?
The canonical SMILES for 3-(2-methylbutylamino)-N-phenylbutanamide is CCC(C)CNC(C)CC(=O)Nc1ccccc1.
What is the InChIKey of 3-(2-methylbutylamino)-N-phenylbutanamide?
The InChIKey is SNZKXHBLXKRGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12(2)11-16-13(3)10-15(18)17-14-8-6-5-7-9-14/h5-9,12-13,16H,4,10-11H2,1-3H3,(H,17,18).
What are the key properties of 3-(2-methylbutylamino)-N-phenylbutanamide?
3-(2-methylbutylamino)-N-phenylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutylamino)-N-phenylbutanamide is sourced from PubChem (CID 114244260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).