N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide

C23H32N2O3 — CID 54829289

IUPACN-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)Nc2ccc(OCC)cc2)c1
InChIInChI=1S/C23H32N2O3/c1-3-5-6-7-8-16-28-22-11-9-10-20(17-22)24-18-23(26)25-19-12-14-21(15-13-19)27-4-2/h9-15,17,24H,3-8,16,18H2,1-2H3,(H,25,26)
InChIKeyXBBXRFRPOMTTJY-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.49
Rot. Bonds13

About N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide

N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide (PubChem CID 54829289) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
PubChem CID54829289
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
SMILESCCCCCCCOc1cccc(NCC(=O)Nc2ccc(OCC)cc2)c1
InChIInChI=1S/C23H32N2O3/c1-3-5-6-7-8-16-28-22-11-9-10-20(17-22)24-18-23(26)25-19-12-14-21(15-13-19)27-4-2/h9-15,17,24H,3-8,16,18H2,1-2H3,(H,25,26)
InChIKeyXBBXRFRPOMTTJY-UHFFFAOYSA-N
XLogP5.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.49
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

N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633
2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257
2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54823270
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54829043
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide (CID 54829289) is N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide is CCCCCCCOc1cccc(NCC(=O)Nc2ccc(OCC)cc2)c1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide?
The InChIKey is XBBXRFRPOMTTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-3-5-6-7-8-16-28-22-11-9-10-20(17-22)24-18-23(26)25-19-12-14-21(15-13-19)27-4-2/h9-15,17,24H,3-8,16,18H2,1-2H3,(H,25,26).
What are the key properties of N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide?
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide has a molecular weight of 384.52 g/mol, XLogP of 5.49, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide is sourced from PubChem (CID 54829289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).