3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide

C15H24N2O2 — CID 82070952

IUPAC3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCc1ccc(O)c(N)c1
InChIInChI=1S/C15H24N2O2/c1-3-9-17(10-4-2)15(19)8-6-12-5-7-14(18)13(16)11-12/h5,7,11,18H,3-4,6,8-10,16H2,1-2H3
InChIKeyBACCCGHDVHUVIZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.56
Rot. Bonds7

About 3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide

3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide (PubChem CID 82070952) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide
PubChem CID82070952
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCc1ccc(O)c(N)c1
InChIInChI=1S/C15H24N2O2/c1-3-9-17(10-4-2)15(19)8-6-12-5-7-14(18)13(16)11-12/h5,7,11,18H,3-4,6,8-10,16H2,1-2H3
InChIKeyBACCCGHDVHUVIZ-UHFFFAOYSA-N
XLogP2.56
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-propoxyphenyl)-N,N-dipropylpropanamide
CID 94759946
3-(3,4-difluorophenyl)-N,N-dipropylpropanamide
CID 86929569
3-(3-amino-5-ethoxy-4-hydroxyphenyl)-N,N-dipropylpropanamide
CID 82070927
3-(3-amino-4-morpholin-4-ylphenyl)-N,N-dipropylpropanamide
CID 82027779
3-(3-amino-4-methoxyphenyl)-N,N-dibutylpropanamide
CID 82071433
N-(2-aminoethyl)-3-(3-methylphenyl)-N-propylpropanamide
CID 62367401
N-(2-hydroxyethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 60702090
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
N-(2-bromoethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 80661193
2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-N,N-diethylacetamide
CID 114233566
2-[3-(3-chloro-4-methylphenyl)propanoyl-propylamino]acetic acid
CID 61007519

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide?
The IUPAC name of 3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide (CID 82070952) is 3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCc1ccc(O)c(N)c1.
What is the InChIKey of 3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide?
The InChIKey is BACCCGHDVHUVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-9-17(10-4-2)15(19)8-6-12-5-7-14(18)13(16)11-12/h5,7,11,18H,3-4,6,8-10,16H2,1-2H3.
What are the key properties of 3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide?
3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide has a molecular weight of 264.37 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-hydroxyphenyl)-N,N-dipropylpropanamide is sourced from PubChem (CID 82070952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).