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

C22H35NO2 — CID 54078231

IUPACN-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-14-17-22(25)23-21(19-24)18-20-15-12-11-13-16-20/h11-13,15-16,19,21H,2-10,14,17-18H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyOURYSVNVUSWDES-NRFANRHFSA-N
MW345.53 g/mol
LogP5.22
Rot. Bonds15

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

N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide (PubChem CID 54078231) has the molecular formula C22H35NO2 and a molecular weight of 345.53 g/mol. Its IUPAC name is N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
PubChem CID54078231
Molecular FormulaC22H35NO2
Molecular Weight345.53 g/mol
Exact Mass345.27
IUPAC NameN-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-14-17-22(25)23-21(19-24)18-20-15-12-11-13-16-20/h11-13,15-16,19,21H,2-10,14,17-18H2,1H3,(H,23,25)/t21-/m0/s1
InChIKeyOURYSVNVUSWDES-NRFANRHFSA-N
XLogP5.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 55.22
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]dodecanamide
CID 54543397
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
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]tridecanamide?
The IUPAC name of N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide (CID 54078231) is N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide.
What is the SMILES notation for N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide?
The canonical SMILES for N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide is CCCCCCCCCCCCC(=O)N[C@H](C=O)Cc1ccccc1.
What is the InChIKey of N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide?
The InChIKey is OURYSVNVUSWDES-NRFANRHFSA-N. The full InChI is InChI=1S/C22H35NO2/c1-2-3-4-5-6-7-8-9-10-14-17-22(25)23-21(19-24)18-20-15-12-11-13-16-20/h11-13,15-16,19,21H,2-10,14,17-18H2,1H3,(H,23,25)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide?
N-[(2S)-1-oxo-3-phenylpropan-2-yl]tridecanamide has a molecular weight of 345.53 g/mol, XLogP of 5.22, 15 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]tridecanamide is sourced from PubChem (CID 54078231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).