N-dodecyl-N-ethyl-3-phenylpropanamide

C23H39NO — CID 91693976

IUPACN-dodecyl-N-ethyl-3-phenylpropanamide
SMILESCCCCCCCCCCCCN(CC)C(=O)CCc1ccccc1
InChIInChI=1S/C23H39NO/c1-3-5-6-7-8-9-10-11-12-16-21-24(4-2)23(25)20-19-22-17-14-13-15-18-22/h13-15,17-18H,3-12,16,19-21H2,1-2H3
InChIKeyRYAMYFMNZGUIRE-UHFFFAOYSA-N
MW345.57 g/mol
LogP6.39
Rot. Bonds15

About N-dodecyl-N-ethyl-3-phenylpropanamide

N-dodecyl-N-ethyl-3-phenylpropanamide (PubChem CID 91693976) has the molecular formula C23H39NO and a molecular weight of 345.57 g/mol. Its IUPAC name is N-dodecyl-N-ethyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-dodecyl-N-ethyl-3-phenylpropanamide
PubChem CID91693976
Molecular FormulaC23H39NO
Molecular Weight345.57 g/mol
Exact Mass345.30
IUPAC NameN-dodecyl-N-ethyl-3-phenylpropanamide
SMILESCCCCCCCCCCCCN(CC)C(=O)CCc1ccccc1
InChIInChI=1S/C23H39NO/c1-3-5-6-7-8-9-10-11-12-16-21-24(4-2)23(25)20-19-22-17-14-13-15-18-22/h13-15,17-18H,3-12,16,19-21H2,1-2H3
InChIKeyRYAMYFMNZGUIRE-UHFFFAOYSA-N
XLogP6.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.57
LogP ≤ 56.39
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

N,N-dihexyl-3-phenylpropanamide
CID 532921
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
CID 115772082
5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
N-ethyl-N-octylbutanamide
CID 138793187
N-ethyl-N-(2-ethylhexyl)-3-phenylpropanamide
CID 91693865
4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
CID 55205589
bis(N-methyl-N-(4-phenylbutyl)nonan-1-amine);oxalic acid
CID 173427638
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
carbonic acid;pentylbenzene
CID 157127683
hexylbenzene;hydrogen peroxide
CID 90001206
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-ethyl-3-phenylpropanamide?
The IUPAC name of N-dodecyl-N-ethyl-3-phenylpropanamide (CID 91693976) is N-dodecyl-N-ethyl-3-phenylpropanamide.
What is the SMILES notation for N-dodecyl-N-ethyl-3-phenylpropanamide?
The canonical SMILES for N-dodecyl-N-ethyl-3-phenylpropanamide is CCCCCCCCCCCCN(CC)C(=O)CCc1ccccc1.
What is the InChIKey of N-dodecyl-N-ethyl-3-phenylpropanamide?
The InChIKey is RYAMYFMNZGUIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO/c1-3-5-6-7-8-9-10-11-12-16-21-24(4-2)23(25)20-19-22-17-14-13-15-18-22/h13-15,17-18H,3-12,16,19-21H2,1-2H3.
What are the key properties of N-dodecyl-N-ethyl-3-phenylpropanamide?
N-dodecyl-N-ethyl-3-phenylpropanamide has a molecular weight of 345.57 g/mol, XLogP of 6.39, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-ethyl-3-phenylpropanamide is sourced from PubChem (CID 91693976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).