6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide

C18H28N2O2 — CID 167344958

IUPAC6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide
SMILESCC(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN
InChIInChI=1S/C18H28N2O2/c1-14(2)18(22)16(13-15-9-5-3-6-10-15)20-17(21)11-7-4-8-12-19/h3,5-6,9-10,14,16H,4,7-8,11-13,19H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyHQZCTIWZNLOBGP-INIZCTEOSA-N
MW304.43 g/mol
LogP2.46
Rot. Bonds10

About 6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide

6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide (PubChem CID 167344958) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide
PubChem CID167344958
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide
SMILESCC(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN
InChIInChI=1S/C18H28N2O2/c1-14(2)18(22)16(13-15-9-5-3-6-10-15)20-17(21)11-7-4-8-12-19/h3,5-6,9-10,14,16H,4,7-8,11-13,19H2,1-2H3,(H,20,21)/t16-/m0/s1
InChIKeyHQZCTIWZNLOBGP-INIZCTEOSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
4-amino-N-(1-phenylpropan-2-yl)butanamide;hydrochloride
CID 138397977
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084
2-(6-aminohexanoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 61156802
6-amino-N-[1-(4-methylpiperidin-1-yl)-1-oxo-3-phenylpropan-2-yl]hexanamide
CID 3951610
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide?
The IUPAC name of 6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide (CID 167344958) is 6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide.
What is the SMILES notation for 6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide?
The canonical SMILES for 6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide is CC(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide?
The InChIKey is HQZCTIWZNLOBGP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14(2)18(22)16(13-15-9-5-3-6-10-15)20-17(21)11-7-4-8-12-19/h3,5-6,9-10,14,16H,4,7-8,11-13,19H2,1-2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of 6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide?
6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide has a molecular weight of 304.43 g/mol, XLogP of 2.46, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide is sourced from PubChem (CID 167344958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).