2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide

C15H24N2O — CID 54908231

IUPAC2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide
SMILESCCC(C)NC(C)(CCc1ccccc1)C(N)=O
InChIInChI=1S/C15H24N2O/c1-4-12(2)17-15(3,14(16)18)11-10-13-8-6-5-7-9-13/h5-9,12,17H,4,10-11H2,1-3H3,(H2,16,18)
InChIKeyFNEGOEXIEUGFBC-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.25
Rot. Bonds7

About 2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide

2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide (PubChem CID 54908231) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide
PubChem CID54908231
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide
SMILESCCC(C)NC(C)(CCc1ccccc1)C(N)=O
InChIInChI=1S/C15H24N2O/c1-4-12(2)17-15(3,14(16)18)11-10-13-8-6-5-7-9-13/h5-9,12,17H,4,10-11H2,1-3H3,(H2,16,18)
InChIKeyFNEGOEXIEUGFBC-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 61024807
2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831966
2-methyl-2-(3-methylanilino)-4-phenylbutanamide
CID 61005082
3-(ethylamino)-3-methyl-5-phenylpentanamide
CID 65233623
3-methyl-3-(methylamino)-5-phenylpentanamide
CID 65236751
N-(1-methoxypropan-2-yl)-2-methyl-4-phenylbutan-2-amine
CID 115920095
2-amino-3-methyl-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115753423
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
4-(4-hydroxyphenyl)-2-methyl-2-(2-methylpropylamino)butanamide
CID 54892341
2-(ethylamino)-2-methyl-4-(3-phenylpropoxy)pentanamide
CID 64720691
2-methyl-2-(pentan-2-ylamino)-3-phenylpropanoic acid
CID 114992820
2-[(2-methyl-4-phenylbutan-2-yl)amino]-2-oxoacetic acid
CID 82129385

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide?
The IUPAC name of 2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide (CID 54908231) is 2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide.
What is the SMILES notation for 2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide?
The canonical SMILES for 2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide is CCC(C)NC(C)(CCc1ccccc1)C(N)=O.
What is the InChIKey of 2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide?
The InChIKey is FNEGOEXIEUGFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-12(2)17-15(3,14(16)18)11-10-13-8-6-5-7-9-13/h5-9,12,17H,4,10-11H2,1-3H3,(H2,16,18).
What are the key properties of 2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide?
2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide has a molecular weight of 248.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-methyl-4-phenylbutanamide is sourced from PubChem (CID 54908231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).