2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide

C17H28N2O — CID 114928414

IUPAC2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
SMILESCCC(CC)C(C)NC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-15(5-2)13(3)19-17(20)16(18)12-11-14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12,18H2,1-3H3,(H,19,20)
InChIKeyWODWCLGTNXTFTJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.89
Rot. Bonds8

About 2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide

2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide (PubChem CID 114928414) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
PubChem CID114928414
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide
SMILESCCC(CC)C(C)NC(=O)C(N)CCc1ccccc1
InChIInChI=1S/C17H28N2O/c1-4-15(5-2)13(3)19-17(20)16(18)12-11-14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12,18H2,1-3H3,(H,19,20)
InChIKeyWODWCLGTNXTFTJ-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]butanoic acid
CID 104984129
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
(2R)-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanoic acid
CID 107565009
3-[(2-amino-4-phenylbutanoyl)amino]hexanoic acid
CID 114929257
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]hexanoic acid
CID 104984718
(2S)-2-amino-N-(4-methylsulfanylbutan-2-yl)-4-phenylbutanamide
CID 104984814
(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
CID 79023204
(2S)-2-amino-N-(4-methylsulfinylbutan-2-yl)-4-phenylbutanamide
CID 104984835
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide?
The IUPAC name of 2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide (CID 114928414) is 2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide.
What is the SMILES notation for 2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide?
The canonical SMILES for 2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide is CCC(CC)C(C)NC(=O)C(N)CCc1ccccc1.
What is the InChIKey of 2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide?
The InChIKey is WODWCLGTNXTFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-15(5-2)13(3)19-17(20)16(18)12-11-14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide?
2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide has a molecular weight of 276.42 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylpentan-2-yl)-4-phenylbutanamide is sourced from PubChem (CID 114928414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).