N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide

C23H32N2O2 — CID 54815004

IUPACN-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNC(C)c2ccccc2)cc1
InChIInChI=1S/C23H32N2O2/c1-3-4-5-6-10-17-27-22-15-13-21(14-16-22)25-23(26)18-24-19(2)20-11-8-7-9-12-20/h7-9,11-16,19,24H,3-6,10,17-18H2,1-2H3,(H,25,26)
InChIKeyYBUIDZBJKZMLJR-UHFFFAOYSA-N
MW368.52 g/mol
LogP5.33
Rot. Bonds12

About N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide

N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide (PubChem CID 54815004) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide.

Molecular Properties

Compound NameN-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide
PubChem CID54815004
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC NameN-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNC(C)c2ccccc2)cc1
InChIInChI=1S/C23H32N2O2/c1-3-4-5-6-10-17-27-22-15-13-21(14-16-22)25-23(26)18-24-19(2)20-11-8-7-9-12-20/h7-9,11-16,19,24H,3-6,10,17-18H2,1-2H3,(H,25,26)
InChIKeyYBUIDZBJKZMLJR-UHFFFAOYSA-N
XLogP5.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898537
2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54815005
3-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54842100
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
N-(4-heptoxyphenyl)-N'-(1-phenylethyl)ethane-1,2-diamine
CID 54807195
2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide
CID 54820323
propyl 4-[[2-(1-phenylethylamino)acetyl]amino]benzoate
CID 54814917
2-(ethylamino)-N-(4-hexoxyphenyl)acetamide
CID 54821037
1-benzhydryl-3-(4-decoxyphenyl)urea
CID 4304974
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463

Frequently Asked Questions

What is the IUPAC name of N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide?
The IUPAC name of N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide (CID 54815004) is N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide.
What is the SMILES notation for N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide?
The canonical SMILES for N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide is CCCCCCCOc1ccc(NC(=O)CNC(C)c2ccccc2)cc1.
What is the InChIKey of N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide?
The InChIKey is YBUIDZBJKZMLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-3-4-5-6-10-17-27-22-15-13-21(14-16-22)25-23(26)18-24-19(2)20-11-8-7-9-12-20/h7-9,11-16,19,24H,3-6,10,17-18H2,1-2H3,(H,25,26).
What are the key properties of N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide?
N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide has a molecular weight of 368.52 g/mol, XLogP of 5.33, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide is sourced from PubChem (CID 54815004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).