N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide

C22H24N2O2 — CID 54839857

IUPACN-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide
SMILESCCCCOc1ccc(NC(=O)CNc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H24N2O2/c1-2-3-14-26-21-12-10-19(11-13-21)24-22(25)16-23-20-9-8-17-6-4-5-7-18(17)15-20/h4-13,15,23H,2-3,14,16H2,1H3,(H,24,25)
InChIKeyULWPIVUZRGFBHI-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.07
Rot. Bonds8

About N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide

N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide (PubChem CID 54839857) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide
PubChem CID54839857
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide
SMILESCCCCOc1ccc(NC(=O)CNc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H24N2O2/c1-2-3-14-26-21-12-10-19(11-13-21)24-22(25)16-23-20-9-8-17-6-4-5-7-18(17)15-20/h4-13,15,23H,2-3,14,16H2,1H3,(H,24,25)
InChIKeyULWPIVUZRGFBHI-UHFFFAOYSA-N
XLogP5.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.07
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-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-(4-hexoxyphenyl)-2-(naphthalen-1-ylamino)acetamide
CID 54809387
2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide
CID 54813396
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide?
The IUPAC name of N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide (CID 54839857) is N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide is CCCCOc1ccc(NC(=O)CNc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide?
The InChIKey is ULWPIVUZRGFBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-2-3-14-26-21-12-10-19(11-13-21)24-22(25)16-23-20-9-8-17-6-4-5-7-18(17)15-20/h4-13,15,23H,2-3,14,16H2,1H3,(H,24,25).
What are the key properties of N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide?
N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide has a molecular weight of 348.45 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-(naphthalen-2-ylamino)acetamide is sourced from PubChem (CID 54839857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).