3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide

C19H32N2O2 — CID 94759187

IUPAC3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCc1ccc(OCCC(C)C)c(N)c1
InChIInChI=1S/C19H32N2O2/c1-14(2)9-11-21-19(22)8-6-16-5-7-18(17(20)13-16)23-12-10-15(3)4/h5,7,13-15H,6,8-12,20H2,1-4H3,(H,21,22)
InChIKeyAXGOURQZRVEQQW-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.79
Rot. Bonds10

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

3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide (PubChem CID 94759187) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
PubChem CID94759187
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCc1ccc(OCCC(C)C)c(N)c1
InChIInChI=1S/C19H32N2O2/c1-14(2)9-11-21-19(22)8-6-16-5-7-18(17(20)13-16)23-12-10-15(3)4/h5,7,13-15H,6,8-12,20H2,1-4H3,(H,21,22)
InChIKeyAXGOURQZRVEQQW-UHFFFAOYSA-N
XLogP3.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
3-(3-amino-4-butoxyphenyl)-N-propylpropanamide
CID 82152760
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 94759123
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-pyridin-3-ylpropanamide
CID 82153720
3-(3-amino-4-propoxyphenyl)-N-(3-hydroxypropyl)propanamide
CID 82152736
3-(3-amino-4-pyrrolidin-1-ylphenyl)-N-(3-methylbutyl)propanamide
CID 39112758
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
CID 82152722
2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide
CID 54957202
5-ethyl-2-(3-methylbutoxy)aniline
CID 54853197
3-(3-amino-4-ethoxyphenyl)-N-[2-(diethylamino)ethyl]propanamide
CID 94759066
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide (CID 94759187) is 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCc1ccc(OCCC(C)C)c(N)c1.
What is the InChIKey of 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide?
The InChIKey is AXGOURQZRVEQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-14(2)9-11-21-19(22)8-6-16-5-7-18(17(20)13-16)23-12-10-15(3)4/h5,7,13-15H,6,8-12,20H2,1-4H3,(H,21,22).
What are the key properties of 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide?
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide has a molecular weight of 320.48 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 94759187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).