3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide

C19H32N2O2 — CID 94759931

IUPAC3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide
SMILESCCCCN(CC)C(=O)CCc1ccc(OCC(C)C)c(N)c1
InChIInChI=1S/C19H32N2O2/c1-5-7-12-21(6-2)19(22)11-9-16-8-10-18(17(20)13-16)23-14-15(3)4/h8,10,13,15H,5-7,9,11-12,14,20H2,1-4H3
InChIKeyPQQXHTNUVLUGCK-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.88
Rot. Bonds10

About 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide

3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide (PubChem CID 94759931) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide
PubChem CID94759931
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide
SMILESCCCCN(CC)C(=O)CCc1ccc(OCC(C)C)c(N)c1
InChIInChI=1S/C19H32N2O2/c1-5-7-12-21(6-2)19(22)11-9-16-8-10-18(17(20)13-16)23-14-15(3)4/h8,10,13,15H,5-7,9,11-12,14,20H2,1-4H3
InChIKeyPQQXHTNUVLUGCK-UHFFFAOYSA-N
XLogP3.88
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
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-methoxyphenyl)-N,N-dibutylpropanamide
CID 82071433
3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
CID 94759946
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-propan-2-ylpropanamide
CID 82152722
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 94759123
3-(3-amino-4-propoxyphenyl)-N,N-dimethylpropanamide
CID 82153364
3-(3-amino-4-butoxyphenyl)propanoic acid
CID 82152584
3-[3-amino-4-(2-methylpropoxy)phenyl]-1-piperidin-1-ylpropan-1-one
CID 82153351
5-[2-[butyl(ethyl)amino]ethyl]-2-ethoxyaniline
CID 82256179
5-[2-[butyl(methyl)amino]ethyl]-2-ethoxyaniline
CID 82256202
5-[2-[butyl(ethyl)amino]propyl]-2-ethoxyaniline
CID 82256134
3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide
CID 82153401
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739

Frequently Asked Questions

What is the IUPAC name of 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide?
The IUPAC name of 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide (CID 94759931) is 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide.
What is the SMILES notation for 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide?
The canonical SMILES for 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide is CCCCN(CC)C(=O)CCc1ccc(OCC(C)C)c(N)c1.
What is the InChIKey of 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide?
The InChIKey is PQQXHTNUVLUGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-5-7-12-21(6-2)19(22)11-9-16-8-10-18(17(20)13-16)23-14-15(3)4/h8,10,13,15H,5-7,9,11-12,14,20H2,1-4H3.
What are the key properties of 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide?
3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide has a molecular weight of 320.48 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-amino-4-(2-methylpropoxy)phenyl]-N-butyl-N-ethylpropanamide is sourced from PubChem (CID 94759931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).