N-[(2S)-1-phenylpropan-2-yl]heptanamide

C16H25NO — CID 102304960

IUPACN-[(2S)-1-phenylpropan-2-yl]heptanamide
SMILESCCCCCCC(=O)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-3-4-5-9-12-16(18)17-14(2)13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyUTMSTHVCQNZLON-AWEZNQCLSA-N
MW247.38 g/mol
LogP3.70
Rot. Bonds8

About N-[(2S)-1-phenylpropan-2-yl]heptanamide

N-[(2S)-1-phenylpropan-2-yl]heptanamide (PubChem CID 102304960) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(2S)-1-phenylpropan-2-yl]heptanamide.

Molecular Properties

Compound NameN-[(2S)-1-phenylpropan-2-yl]heptanamide
PubChem CID102304960
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(2S)-1-phenylpropan-2-yl]heptanamide
SMILESCCCCCCC(=O)N[C@@H](C)Cc1ccccc1
InChIInChI=1S/C16H25NO/c1-3-4-5-9-12-16(18)17-14(2)13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyUTMSTHVCQNZLON-AWEZNQCLSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
5-oxo-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 54852739
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 54543397
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
CID 54078231
CID 160842704
CID 160842704
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
3-(octanoylamino)-4-phenylbutanoic acid
CID 67920843

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-phenylpropan-2-yl]heptanamide?
The IUPAC name of N-[(2S)-1-phenylpropan-2-yl]heptanamide (CID 102304960) is N-[(2S)-1-phenylpropan-2-yl]heptanamide.
What is the SMILES notation for N-[(2S)-1-phenylpropan-2-yl]heptanamide?
The canonical SMILES for N-[(2S)-1-phenylpropan-2-yl]heptanamide is CCCCCCC(=O)N[C@@H](C)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-phenylpropan-2-yl]heptanamide?
The InChIKey is UTMSTHVCQNZLON-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-4-5-9-12-16(18)17-14(2)13-15-10-7-6-8-11-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-phenylpropan-2-yl]heptanamide?
N-[(2S)-1-phenylpropan-2-yl]heptanamide has a molecular weight of 247.38 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-phenylpropan-2-yl]heptanamide is sourced from PubChem (CID 102304960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).