N-[(1S)-1-phenylethyl]decanamide

C18H29NO — CID 98131360

IUPACN-[(1S)-1-phenylethyl]decanamide
SMILESCCCCCCCCCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C18H29NO/c1-3-4-5-6-7-8-12-15-18(20)19-16(2)17-13-10-9-11-14-17/h9-11,13-14,16H,3-8,12,15H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyJLSGGIBTZLSVMF-INIZCTEOSA-N
MW275.44 g/mol
LogP5.00
Rot. Bonds10

About N-[(1S)-1-phenylethyl]decanamide

N-[(1S)-1-phenylethyl]decanamide (PubChem CID 98131360) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]decanamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]decanamide
PubChem CID98131360
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[(1S)-1-phenylethyl]decanamide
SMILESCCCCCCCCCC(=O)N[C@@H](C)c1ccccc1
InChIInChI=1S/C18H29NO/c1-3-4-5-6-7-8-12-15-18(20)19-16(2)17-13-10-9-11-14-17/h9-11,13-14,16H,3-8,12,15H2,1-2H3,(H,19,20)/t16-/m0/s1
InChIKeyJLSGGIBTZLSVMF-INIZCTEOSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.00
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,N'-bis[(1S)-1-phenylethyl]pentadecanediamide
CID 102132499
(9Z,12E)-N-[(1R)-1-phenylethyl]octadeca-9,12-dienamide
CID 71588891
(5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide
CID 11543858
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]octanamide
CID 101078871
N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]tetradecanamide
CID 71684357
2,3,4,5,6-pentachlorophenol;(9Z,12Z)-N-(1-phenylethyl)octadeca-9,12-dienamide
CID 90344392
N-[1-(4-cyanophenyl)ethyl]octanamide
CID 134035112
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
N-(2-chloro-1-phenylethyl)octanamide
CID 113272309
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]decanamide?
The IUPAC name of N-[(1S)-1-phenylethyl]decanamide (CID 98131360) is N-[(1S)-1-phenylethyl]decanamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]decanamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]decanamide is CCCCCCCCCC(=O)N[C@@H](C)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]decanamide?
The InChIKey is JLSGGIBTZLSVMF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-4-5-6-7-8-12-15-18(20)19-16(2)17-13-10-9-11-14-17/h9-11,13-14,16H,3-8,12,15H2,1-2H3,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]decanamide?
N-[(1S)-1-phenylethyl]decanamide has a molecular weight of 275.44 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]decanamide is sourced from PubChem (CID 98131360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).