N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide

C19H29NO2 — CID 169190270

IUPACN-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide
SMILESCC(C)CC(NC(=O)CCCc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C19H29NO2/c1-14(2)13-17(19(22)15(3)4)20-18(21)12-8-11-16-9-6-5-7-10-16/h5-7,9-10,14-15,17H,8,11-13H2,1-4H3,(H,20,21)
InChIKeyWCTBMSYPESHZOR-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.77
Rot. Bonds9

About N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide

N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide (PubChem CID 169190270) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide
PubChem CID169190270
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide
SMILESCC(C)CC(NC(=O)CCCc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C19H29NO2/c1-14(2)13-17(19(22)15(3)4)20-18(21)12-8-11-16-9-6-5-7-10-16/h5-7,9-10,14-15,17H,8,11-13H2,1-4H3,(H,20,21)
InChIKeyWCTBMSYPESHZOR-UHFFFAOYSA-N
XLogP3.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
CID 71457400
4-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 22574938
2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide
CID 70967784
N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-4-phenylbutanamide
CID 91417454
6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide
CID 167344958
(2S)-N-[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]-4-methyl-2-(4-phenylbutanoylamino)pentanamide
CID 56629694
(2S)-4-methyl-2-(4-phenylmethoxybutanoylamino)pentanoic acid
CID 119360898
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
(2S)-4-methylsulfanyl-2-(4-phenylbutanoylamino)butanoic acid
CID 28939617
(2S)-2-[[(2S)-2-[[(2S)-2-(4-iodobutanoylamino)-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 67478486
N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]-3-phenylpropanamide
CID 110351597

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide?
The IUPAC name of N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide (CID 169190270) is N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide.
What is the SMILES notation for N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide?
The canonical SMILES for N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide is CC(C)CC(NC(=O)CCCc1ccccc1)C(=O)C(C)C.
What is the InChIKey of N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide?
The InChIKey is WCTBMSYPESHZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14(2)13-17(19(22)15(3)4)20-18(21)12-8-11-16-9-6-5-7-10-16/h5-7,9-10,14-15,17H,8,11-13H2,1-4H3,(H,20,21).
What are the key properties of N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide?
N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide has a molecular weight of 303.45 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide is sourced from PubChem (CID 169190270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).