N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide

C25H30N2O2 — CID 54809079

IUPACN-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2cccc3ccccc23)c1
InChIInChI=1S/C25H30N2O2/c1-2-3-4-5-8-17-29-22-14-10-13-21(18-22)27-25(28)19-26-24-16-9-12-20-11-6-7-15-23(20)24/h6-7,9-16,18,26H,2-5,8,17,19H2,1H3,(H,27,28)
InChIKeyBQYRIXPKQPRIRQ-UHFFFAOYSA-N
MW390.53 g/mol
LogP6.24
Rot. Bonds11

About N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide

N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide (PubChem CID 54809079) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
PubChem CID54809079
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
SMILESCCCCCCCOc1cccc(NC(=O)CNc2cccc3ccccc23)c1
InChIInChI=1S/C25H30N2O2/c1-2-3-4-5-8-17-29-22-14-10-13-21(18-22)27-25(28)19-26-24-16-9-12-20-11-6-7-15-23(20)24/h6-7,9-16,18,26H,2-5,8,17,19H2,1H3,(H,27,28)
InChIKeyBQYRIXPKQPRIRQ-UHFFFAOYSA-N
XLogP6.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hexoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809387
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601
N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54828053
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
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-(2,6-dimethylanilino)-N-(3-hexoxyphenyl)acetamide
CID 54818482
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
2-(tert-butylamino)-N-(3-hexoxyphenyl)acetamide
CID 54813824

Frequently Asked Questions

What is the IUPAC name of N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide?
The IUPAC name of N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide (CID 54809079) is N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide.
What is the SMILES notation for N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide?
The canonical SMILES for N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide is CCCCCCCOc1cccc(NC(=O)CNc2cccc3ccccc23)c1.
What is the InChIKey of N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide?
The InChIKey is BQYRIXPKQPRIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-2-3-4-5-8-17-29-22-14-10-13-21(18-22)27-25(28)19-26-24-16-9-12-20-11-6-7-15-23(20)24/h6-7,9-16,18,26H,2-5,8,17,19H2,1H3,(H,27,28).
What are the key properties of N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide?
N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide has a molecular weight of 390.53 g/mol, XLogP of 6.24, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-heptoxyphenyl)-2-(naphthalen-1-ylamino)acetamide is sourced from PubChem (CID 54809079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).