3-(2-methylpentan-3-ylamino)-N-phenylpropanamide

C15H24N2O — CID 119106534

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

About 3-(2-methylpentan-3-ylamino)-N-phenylpropanamide

3-(2-methylpentan-3-ylamino)-N-phenylpropanamide (PubChem CID 119106534) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(2-methylpentan-3-ylamino)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2-methylpentan-3-ylamino)-N-phenylpropanamide
PubChem CID119106534
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(2-methylpentan-3-ylamino)-N-phenylpropanamide
SMILESCCC(NCCC(=O)Nc1ccccc1)C(C)C
InChIInChI=1S/C15H24N2O/c1-4-14(12(2)3)16-11-10-15(18)17-13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3,(H,17,18)
InChIKeyYGAXEWJVLFLABY-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

N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020280
(4R)-4-hydroxy-N-phenylhexanamide
CID 155936166
N-phenyl-3-(1-pyridin-2-ylethylamino)propanamide
CID 119106523
N-phenyl-3-propan-2-ylsulfanylpropanamide
CID 163921680
(2S,3S)-3-methyl-2-[[3-oxo-3-(phenylcarbamoylamino)propyl]amino]pentanoic acid
CID 122100242
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
3-acetamido-N-phenylpropanamide
CID 7946185
3-(butan-2-ylamino)-N-(4-ethylphenyl)propanamide
CID 109013160
N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954667
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451
4-(aminomethyl)-5-methyl-N-phenylhexanamide
CID 112515533

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-3-ylamino)-N-phenylpropanamide?
The IUPAC name of 3-(2-methylpentan-3-ylamino)-N-phenylpropanamide (CID 119106534) is 3-(2-methylpentan-3-ylamino)-N-phenylpropanamide.
What is the SMILES notation for 3-(2-methylpentan-3-ylamino)-N-phenylpropanamide?
The canonical SMILES for 3-(2-methylpentan-3-ylamino)-N-phenylpropanamide is CCC(NCCC(=O)Nc1ccccc1)C(C)C.
What is the InChIKey of 3-(2-methylpentan-3-ylamino)-N-phenylpropanamide?
The InChIKey is YGAXEWJVLFLABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-14(12(2)3)16-11-10-15(18)17-13-8-6-5-7-9-13/h5-9,12,14,16H,4,10-11H2,1-3H3,(H,17,18).
What are the key properties of 3-(2-methylpentan-3-ylamino)-N-phenylpropanamide?
3-(2-methylpentan-3-ylamino)-N-phenylpropanamide 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-methylpentan-3-ylamino)-N-phenylpropanamide is sourced from PubChem (CID 119106534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).