N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide

C19H24N2O3 — CID 54814474

IUPACN-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
SMILESCCCCOc1ccc(NC(=O)CNc2cccc(OC)c2)cc1
InChIInChI=1S/C19H24N2O3/c1-3-4-12-24-17-10-8-15(9-11-17)21-19(22)14-20-16-6-5-7-18(13-16)23-2/h5-11,13,20H,3-4,12,14H2,1-2H3,(H,21,22)
InChIKeyBSUDFMOLRHOHPQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.92
Rot. Bonds9

About N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide

N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide (PubChem CID 54814474) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
PubChem CID54814474
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
SMILESCCCCOc1ccc(NC(=O)CNc2cccc(OC)c2)cc1
InChIInChI=1S/C19H24N2O3/c1-3-4-12-24-17-10-8-15(9-11-17)21-19(22)14-20-16-6-5-7-18(13-16)23-2/h5-11,13,20H,3-4,12,14H2,1-2H3,(H,21,22)
InChIKeyBSUDFMOLRHOHPQ-UHFFFAOYSA-N
XLogP3.92
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.92
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-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825836
N-[4-[[2-(3-butoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837051
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633
2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide?
The IUPAC name of N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide (CID 54814474) is N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide.
What is the SMILES notation for N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide?
The canonical SMILES for N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide is CCCCOc1ccc(NC(=O)CNc2cccc(OC)c2)cc1.
What is the InChIKey of N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide?
The InChIKey is BSUDFMOLRHOHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-4-12-24-17-10-8-15(9-11-17)21-19(22)14-20-16-6-5-7-18(13-16)23-2/h5-11,13,20H,3-4,12,14H2,1-2H3,(H,21,22).
What are the key properties of N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide?
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide has a molecular weight of 328.41 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide is sourced from PubChem (CID 54814474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).