2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide

C20H32N2O2 — CID 70967784

IUPAC2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide
SMILESCCCCCC(=O)NC(CC(C)C)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H32N2O2/c1-4-5-7-12-19(23)22-18(15-16(2)3)20(24)21-14-13-17-10-8-6-9-11-17/h6,8-11,16,18H,4-5,7,12-15H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQWSYTHYDUUFDMN-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.46
Rot. Bonds11

About 2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide

2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide (PubChem CID 70967784) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide.

Molecular Properties

Compound Name2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide
PubChem CID70967784
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide
SMILESCCCCCC(=O)NC(CC(C)C)C(=O)NCCc1ccccc1
InChIInChI=1S/C20H32N2O2/c1-4-5-7-12-19(23)22-18(15-16(2)3)20(24)21-14-13-17-10-8-6-9-11-17/h6,8-11,16,18H,4-5,7,12-15H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyQWSYTHYDUUFDMN-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-oxo-3-phenyl-1-(2-phenylethylamino)propan-2-yl]heptanamide
CID 42701600
(2S)-2-(octanoylamino)-N-(2-phenylethyl)butanediamide
CID 162387333
N-[(2S)-1-(butylamino)-4-methyl-1-oxopentan-2-yl]dodecanamide
CID 101082096
N-[(2S)-4-methyl-1-(octylamino)-1-oxopentan-2-yl]octadecanamide
CID 135364151
N-[1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]docosanamide
CID 135364067
N-[(2S)-1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]hexadecanamide
CID 135364086
N-[1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]hexadecanamide
CID 135364087
N-[(2S)-1-(dodecylamino)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 12049932
N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide
CID 42703705
11-[[2-(dodecanoylamino)-4-methylpentanoyl]amino]undecanoic acid
CID 72758700
(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
CID 71457400
2-(heptanoylamino)-4-phenylbutanoic acid
CID 114916720

Frequently Asked Questions

What is the IUPAC name of 2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide?
The IUPAC name of 2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide (CID 70967784) is 2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide.
What is the SMILES notation for 2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide?
The canonical SMILES for 2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide is CCCCCC(=O)NC(CC(C)C)C(=O)NCCc1ccccc1.
What is the InChIKey of 2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide?
The InChIKey is QWSYTHYDUUFDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-4-5-7-12-19(23)22-18(15-16(2)3)20(24)21-14-13-17-10-8-6-9-11-17/h6,8-11,16,18H,4-5,7,12-15H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide?
2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide has a molecular weight of 332.49 g/mol, XLogP of 3.46, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide is sourced from PubChem (CID 70967784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).