2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide

C27H32N2O3 — CID 54821713

IUPAC2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
SMILESCCCCCCCOc1ccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C27H32N2O3/c1-2-3-4-5-9-20-31-24-16-12-22(13-17-24)28-21-27(30)29-23-14-18-26(19-15-23)32-25-10-7-6-8-11-25/h6-8,10-19,28H,2-5,9,20-21H2,1H3,(H,29,30)
InChIKeyOHMGDYVDEUDNAA-UHFFFAOYSA-N
MW432.56 g/mol
LogP6.88
Rot. Bonds13

About 2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide

2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide (PubChem CID 54821713) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
PubChem CID54821713
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
SMILESCCCCCCCOc1ccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C27H32N2O3/c1-2-3-4-5-9-20-31-24-16-12-22(13-17-24)28-21-27(30)29-23-14-18-26(19-15-23)32-25-10-7-6-8-11-25/h6-8,10-19,28H,2-5,9,20-21H2,1H3,(H,29,30)
InChIKeyOHMGDYVDEUDNAA-UHFFFAOYSA-N
XLogP6.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide
CID 54813396
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027

Frequently Asked Questions

What is the IUPAC name of 2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide (CID 54821713) is 2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide is CCCCCCCOc1ccc(NCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide?
The InChIKey is OHMGDYVDEUDNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-2-3-4-5-9-20-31-24-16-12-22(13-17-24)28-21-27(30)29-23-14-18-26(19-15-23)32-25-10-7-6-8-11-25/h6-8,10-19,28H,2-5,9,20-21H2,1H3,(H,29,30).
What are the key properties of 2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide?
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide has a molecular weight of 432.56 g/mol, XLogP of 6.88, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 54821713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).