N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide

C23H29NO — CID 42696067

IUPACN-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide
SMILESCCCCCC(=O)N(C/C=C/c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C23H29NO/c1-3-4-7-18-23(25)24(20(2)22-16-10-6-11-17-22)19-12-15-21-13-8-5-9-14-21/h5-6,8-17,20H,3-4,7,18-19H2,1-2H3/b15-12+
InChIKeyJADQPPCFDPHRJY-NTCAYCPXSA-N
MW335.49 g/mol
LogP5.87
Rot. Bonds9

About N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide

N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide (PubChem CID 42696067) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide
PubChem CID42696067
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC NameN-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide
SMILESCCCCCC(=O)N(C/C=C/c1ccccc1)C(C)c1ccccc1
InChIInChI=1S/C23H29NO/c1-3-4-7-18-23(25)24(20(2)22-16-10-6-11-17-22)19-12-15-21-13-8-5-9-14-21/h5-6,8-17,20H,3-4,7,18-19H2,1-2H3/b15-12+
InChIKeyJADQPPCFDPHRJY-NTCAYCPXSA-N
XLogP5.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-5-phenyl-N-(1-phenylethyl)pent-4-enamide
CID 66486378
N-[(E)-but-2-enyl]-2-hydroxy-N-[(1R)-1-phenylethyl]acetamide
CID 10977361
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-N-(1-phenylethyl)nonanamide
CID 4310878
N-[3-[5-(diethylamino)pentan-2-ylamino]-3-oxopropyl]-N-(1-phenylethyl)dodecanamide
CID 42699290
N-[(E)-3-phenylprop-2-enyl]-N-(2-pyrrolidin-1-ylethyl)nonanamide
CID 42697019
N-[(3-phenoxyphenyl)methyl]-N-(1-phenylethyl)hexanamide
CID 42702967
N-(3-phenylprop-2-enyl)hexanamide
CID 54485378
1-phenylethyl(propyl)carbamic acid
CID 57360234
N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide
CID 135041080
3-(2-aminophenyl)-N-butyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 120611121
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
2-methylidenehexanoic acid;2-methylidene-5-phenylpent-4-enoic acid
CID 69286531

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide?
The IUPAC name of N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide (CID 42696067) is N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide.
What is the SMILES notation for N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide?
The canonical SMILES for N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide is CCCCCC(=O)N(C/C=C/c1ccccc1)C(C)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide?
The InChIKey is JADQPPCFDPHRJY-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H29NO/c1-3-4-7-18-23(25)24(20(2)22-16-10-6-11-17-22)19-12-15-21-13-8-5-9-14-21/h5-6,8-17,20H,3-4,7,18-19H2,1-2H3/b15-12+.
What are the key properties of N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide?
N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide has a molecular weight of 335.49 g/mol, XLogP of 5.87, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-N-[(E)-3-phenylprop-2-enyl]hexanamide is sourced from PubChem (CID 42696067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).