N-(2-phenylethyl)undec-10-enamide

C19H29NO — CID 3930064

IUPACN-(2-phenylethyl)undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-12-15-19(21)20-17-16-18-13-10-9-11-14-18/h2,9-11,13-14H,1,3-8,12,15-17H2,(H,20,21)
InChIKeyPWACKOAFIUJOGF-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.65
Rot. Bonds12

About N-(2-phenylethyl)undec-10-enamide

N-(2-phenylethyl)undec-10-enamide (PubChem CID 3930064) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(2-phenylethyl)undec-10-enamide.

Molecular Properties

Compound NameN-(2-phenylethyl)undec-10-enamide
PubChem CID3930064
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-(2-phenylethyl)undec-10-enamide
SMILESC=CCCCCCCCCC(=O)NCCc1ccccc1
InChIInChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-12-15-19(21)20-17-16-18-13-10-9-11-14-18/h2,9-11,13-14H,1,3-8,12,15-17H2,(H,20,21)
InChIKeyPWACKOAFIUJOGF-UHFFFAOYSA-N
XLogP4.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(2-phenylethyl)hexanamide
CID 154710700
prop-2-enyl N-[4-oxo-4-(2-phenylethylamino)butyl]carbamate
CID 155534232
(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
CID 162516977
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
benzyl 2-(oct-7-enoylamino)acetate
CID 71697886
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
N,N-bis[2-[[2-(benzylamino)-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]amino]-2-oxoethyl]hex-5-enamide
CID 10533552
8-(4-phenylbutanoylamino)octanoic acid
CID 71129906
6-oxo-6-(3-phenylpropylamino)hexanoic acid
CID 60913632
hept-6-enylbenzene
CID 15608161
N-[2-(4-fluorophenyl)ethyl]-4-phenylbutanamide
CID 2288121

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)undec-10-enamide?
The IUPAC name of N-(2-phenylethyl)undec-10-enamide (CID 3930064) is N-(2-phenylethyl)undec-10-enamide.
What is the SMILES notation for N-(2-phenylethyl)undec-10-enamide?
The canonical SMILES for N-(2-phenylethyl)undec-10-enamide is C=CCCCCCCCCC(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)undec-10-enamide?
The InChIKey is PWACKOAFIUJOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-3-4-5-6-7-8-12-15-19(21)20-17-16-18-13-10-9-11-14-18/h2,9-11,13-14H,1,3-8,12,15-17H2,(H,20,21).
What are the key properties of N-(2-phenylethyl)undec-10-enamide?
N-(2-phenylethyl)undec-10-enamide has a molecular weight of 287.45 g/mol, XLogP of 4.65, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)undec-10-enamide is sourced from PubChem (CID 3930064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).