N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide

C28H34N2O3 — CID 54828053

IUPACN-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C28H34N2O3/c1-2-3-4-5-11-19-32-25-16-12-15-24(20-25)30-28(31)21-29-26-17-9-10-18-27(26)33-22-23-13-7-6-8-14-23/h6-10,12-18,20,29H,2-5,11,19,21-22H2,1H3,(H,30,31)
InChIKeyAZOQFMYLHMIXJT-UHFFFAOYSA-N
MW446.59 g/mol
LogP6.67
Rot. Bonds14

About N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide

N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide (PubChem CID 54828053) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
PubChem CID54828053
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC NameN-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C28H34N2O3/c1-2-3-4-5-11-19-32-25-16-12-15-24(20-25)30-28(31)21-29-26-17-9-10-18-27(26)33-22-23-13-7-6-8-14-23/h6-10,12-18,20,29H,2-5,11,19,21-22H2,1H3,(H,30,31)
InChIKeyAZOQFMYLHMIXJT-UHFFFAOYSA-N
XLogP6.67
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54823573
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027
N-[3-[[2-(2-phenylmethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54828090
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601
N-(3-methoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54827854
N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809079
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
2-(2-butoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 54827744
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54823270

Frequently Asked Questions

What is the IUPAC name of N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide?
The IUPAC name of N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide (CID 54828053) is N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide.
What is the SMILES notation for N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide?
The canonical SMILES for N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide is CCCCCCCOc1cccc(NC(=O)CNc2ccccc2OCc2ccccc2)c1.
What is the InChIKey of N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide?
The InChIKey is AZOQFMYLHMIXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-2-3-4-5-11-19-32-25-16-12-15-24(20-25)30-28(31)21-29-26-17-9-10-18-27(26)33-22-23-13-7-6-8-14-23/h6-10,12-18,20,29H,2-5,11,19,21-22H2,1H3,(H,30,31).
What are the key properties of N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide?
N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide has a molecular weight of 446.59 g/mol, XLogP of 6.67, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide is sourced from PubChem (CID 54828053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).