N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide

C21H33NO2 — CID 54543397

IUPACN-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-13-16-21(24)22-20(18-23)17-19-14-11-10-12-15-19/h10-12,14-15,18,20H,2-9,13,16-17H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyCFNNBAKTTJBEFO-FQEVSTJZSA-N
MW331.50 g/mol
LogP4.83
Rot. Bonds14

About N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide

N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide (PubChem CID 54543397) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
PubChem CID54543397
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC NameN-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-13-16-21(24)22-20(18-23)17-19-14-11-10-12-15-19/h10-12,14-15,18,20H,2-9,13,16-17H2,1H3,(H,22,24)/t20-/m0/s1
InChIKeyCFNNBAKTTJBEFO-FQEVSTJZSA-N
XLogP4.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
CID 54078231
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
CID 160842704
CID 160842704
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
3-(octanoylamino)-4-phenylbutanoic acid
CID 67920843
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide (CID 54543397) is N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide is CCCCCCCCCCCC(=O)N[C@H](C=O)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide?
The InChIKey is CFNNBAKTTJBEFO-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H33NO2/c1-2-3-4-5-6-7-8-9-13-16-21(24)22-20(18-23)17-19-14-11-10-12-15-19/h10-12,14-15,18,20H,2-9,13,16-17H2,1H3,(H,22,24)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide?
N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide has a molecular weight of 331.50 g/mol, XLogP of 4.83, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-3-phenylpropan-2-yl]dodecanamide is sourced from PubChem (CID 54543397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).