N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide

C29H42N2O2 — CID 54791898

IUPACN-(1-phenylethyl)-3-(tetradecanoylamino)benzamide
SMILESCCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C29H42N2O2/c1-3-4-5-6-7-8-9-10-11-12-16-22-28(32)31-27-21-17-20-26(23-27)29(33)30-24(2)25-18-14-13-15-19-25/h13-15,17-21,23-24H,3-12,16,22H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyTZCUVVYCIFYMNK-UHFFFAOYSA-N
MW450.67 g/mol
LogP7.82
Rot. Bonds16

About N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide

N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide (PubChem CID 54791898) has the molecular formula C29H42N2O2 and a molecular weight of 450.67 g/mol. Its IUPAC name is N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-3-(tetradecanoylamino)benzamide
PubChem CID54791898
Molecular FormulaC29H42N2O2
Molecular Weight450.67 g/mol
Exact Mass450.32
IUPAC NameN-(1-phenylethyl)-3-(tetradecanoylamino)benzamide
SMILESCCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1
InChIInChI=1S/C29H42N2O2/c1-3-4-5-6-7-8-9-10-11-12-16-22-28(32)31-27-21-17-20-26(23-27)29(33)30-24(2)25-18-14-13-15-19-25/h13-15,17-21,23-24H,3-12,16,22H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyTZCUVVYCIFYMNK-UHFFFAOYSA-N
XLogP7.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 57.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
N-(1-phenylethyl)-3-(tetradecanoylcarbamothioylamino)benzamide
CID 54791327
3-(heptanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide
CID 54789376
N-(1-phenylethyl)-3-(propanoylamino)benzamide
CID 17309569
4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoic acid
CID 43877722
N-[(2R)-butan-2-yl]-3-(hexanoylamino)benzamide
CID 42579564
3-[(2-bromoacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 93083294
N-ethyl-3-[[2-oxo-2-[3-(1-phenylethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54837990
3-[[2-(butan-2-ylamino)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54829287
3-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842100
2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate
CID 43877852
N-[(1S)-1-phenylethyl]decanamide
CID 98131360

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide?
The IUPAC name of N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide (CID 54791898) is N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide.
What is the SMILES notation for N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide?
The canonical SMILES for N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide is CCCCCCCCCCCCCC(=O)Nc1cccc(C(=O)NC(C)c2ccccc2)c1.
What is the InChIKey of N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide?
The InChIKey is TZCUVVYCIFYMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2O2/c1-3-4-5-6-7-8-9-10-11-12-16-22-28(32)31-27-21-17-20-26(23-27)29(33)30-24(2)25-18-14-13-15-19-25/h13-15,17-21,23-24H,3-12,16,22H2,1-2H3,(H,30,33)(H,31,32).
What are the key properties of N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide?
N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide has a molecular weight of 450.67 g/mol, XLogP of 7.82, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-3-(tetradecanoylamino)benzamide is sourced from PubChem (CID 54791898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).