3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide

C20H26N2O2 — CID 54795379

IUPAC3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide
SMILESCC(C)CCOc1cccc(NC(=O)CCc2ccc(N)cc2)c1
InChIInChI=1S/C20H26N2O2/c1-15(2)12-13-24-19-5-3-4-18(14-19)22-20(23)11-8-16-6-9-17(21)10-7-16/h3-7,9-10,14-15H,8,11-13,21H2,1-2H3,(H,22,23)
InChIKeyZRKQWIZUJHLFPC-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.26
Rot. Bonds8

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

3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide (PubChem CID 54795379) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide
PubChem CID54795379
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide
SMILESCC(C)CCOc1cccc(NC(=O)CCc2ccc(N)cc2)c1
InChIInChI=1S/C20H26N2O2/c1-15(2)12-13-24-19-5-3-4-18(14-19)22-20(23)11-8-16-6-9-17(21)10-7-16/h3-7,9-10,14-15H,8,11-13,21H2,1-2H3,(H,22,23)
InChIKeyZRKQWIZUJHLFPC-UHFFFAOYSA-N
XLogP4.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.26
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

N-[3-(3-methylbutoxy)phenyl]-3-phenylpropanamide
CID 17097232
3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide
CID 54795378
3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
CID 54795311
3-amino-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 39353480
N-[3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54837285
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372
2-(4-aminophenyl)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54795816
2-chloro-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 112501859
N-[3-(3-methylbutoxy)phenyl]-3-(2-phenylethoxy)benzamide
CID 17134436
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide
CID 82153720
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide
CID 115375741

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide (CID 54795379) is 3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide is CC(C)CCOc1cccc(NC(=O)CCc2ccc(N)cc2)c1.
What is the InChIKey of 3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide?
The InChIKey is ZRKQWIZUJHLFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(2)12-13-24-19-5-3-4-18(14-19)22-20(23)11-8-16-6-9-17(21)10-7-16/h3-7,9-10,14-15H,8,11-13,21H2,1-2H3,(H,22,23).
What are the key properties of 3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide?
3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide is sourced from PubChem (CID 54795379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).