N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide

C17H28N2O — CID 115309768

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)NC(C)(CN)CC(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-15(14-9-7-6-8-10-14)16(20)19-17(4,12-18)11-13(2)3/h6-10,13,15H,5,11-12,18H2,1-4H3,(H,19,20)
InChIKeyDJAOFAOMZBQTNU-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.06
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide

N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide (PubChem CID 115309768) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide
PubChem CID115309768
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide
SMILESCCC(C(=O)NC(C)(CN)CC(C)C)c1ccccc1
InChIInChI=1S/C17H28N2O/c1-5-15(14-9-7-6-8-10-14)16(20)19-17(4,12-18)11-13(2)3/h6-10,13,15H,5,11-12,18H2,1-4H3,(H,19,20)
InChIKeyDJAOFAOMZBQTNU-UHFFFAOYSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-3-methylpentan-3-yl)-2-phenylbutanamide
CID 106164437
N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpentanamide
CID 119599953
N-(1-bromo-2-methylbutan-2-yl)-2-phenylbutanamide
CID 114314563
3-amino-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 122080681
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride
CID 119597381
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(phenylcarbamoylamino)propanamide
CID 119598761
4-methoxy-3-methyl-3-(2-phenylbutanoylamino)butanoic acid
CID 120606645
3-acetamido-N-(1-amino-2,4-dimethylpentan-2-yl)-3-phenylpropanamide
CID 119598759
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-bromophenyl)acetamide
CID 119599373
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbenzamide
CID 81487529
(2-phenylbutanoylamino)urea
CID 63946462
N-(1-amino-2,4-dimethylpentan-2-yl)-2-ethylhexanamide;hydrochloride
CID 120607605

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide (CID 115309768) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide is CCC(C(=O)NC(C)(CN)CC(C)C)c1ccccc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide?
The InChIKey is DJAOFAOMZBQTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-15(14-9-7-6-8-10-14)16(20)19-17(4,12-18)11-13(2)3/h6-10,13,15H,5,11-12,18H2,1-4H3,(H,19,20).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide has a molecular weight of 276.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide is sourced from PubChem (CID 115309768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).