2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide

C19H24N2O2 — CID 54795816

IUPAC2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCC(C)CCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14(2)11-12-23-18-9-7-17(8-10-18)21-19(22)13-15-3-5-16(20)6-4-15/h3-10,14H,11-13,20H2,1-2H3,(H,21,22)
InChIKeyDBIJRHILKIROFQ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.87
Rot. Bonds7

About 2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide

2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide (PubChem CID 54795816) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide
PubChem CID54795816
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide
SMILESCC(C)CCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1
InChIInChI=1S/C19H24N2O2/c1-14(2)11-12-23-18-9-7-17(8-10-18)21-19(22)13-15-3-5-16(20)6-4-15/h3-10,14H,11-13,20H2,1-2H3,(H,21,22)
InChIKeyDBIJRHILKIROFQ-UHFFFAOYSA-N
XLogP3.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-(3-methylbutoxy)anilino]-3-oxopropanoate
CID 28638022
N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4949733
2-bromo-N-[4-[4-(3-methylbutoxy)anilino]phenyl]acetamide
CID 24832146
2-(4-methoxyphenoxy)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 4949852
2-[4-(3-methylbutoxy)phenyl]acetate
CID 6947053
4-(aminomethyl)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 119331702
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470
2-methoxyethyl 4-[4-(3-methylbutoxy)anilino]-4-oxobutanoate
CID 17339142
2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54813449
3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 54795379
2-(4-aminophenyl)-N-[4-[(1R)-1-hydroxyethyl]phenyl]acetamide
CID 100803515
3-amino-2-methyl-N-[4-(3-methylbutoxy)phenyl]butanamide
CID 120501367

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide (CID 54795816) is 2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide is CC(C)CCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide?
The InChIKey is DBIJRHILKIROFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(2)11-12-23-18-9-7-17(8-10-18)21-19(22)13-15-3-5-16(20)6-4-15/h3-10,14H,11-13,20H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide?
2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide has a molecular weight of 312.41 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide is sourced from PubChem (CID 54795816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).