3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide

C15H24N2O3 — CID 82152698

IUPAC3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide
SMILESCC(O)CNC(=O)CCc1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C15H24N2O3/c1-10(2)20-14-6-4-12(8-13(14)16)5-7-15(19)17-9-11(3)18/h4,6,8,10-11,18H,5,7,9,16H2,1-3H3,(H,17,19)
InChIKeyCYTYZJYYTLGROP-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.49
Rot. Bonds7

About 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide

3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide (PubChem CID 82152698) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide
PubChem CID82152698
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide
SMILESCC(O)CNC(=O)CCc1ccc(OC(C)C)c(N)c1
InChIInChI=1S/C15H24N2O3/c1-10(2)20-14-6-4-12(8-13(14)16)5-7-15(19)17-9-11(3)18/h4,6,8,10-11,18H,5,7,9,16H2,1-3H3,(H,17,19)
InChIKeyCYTYZJYYTLGROP-UHFFFAOYSA-N
XLogP1.49
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-4-propan-2-yloxyphenyl)-N-butan-2-ylpropanamide
CID 82152691
3-(3-amino-4-propan-2-yloxyphenyl)-N-(1-phenylethyl)propanamide
CID 82152706
3-(3-amino-4-propan-2-yloxyphenyl)-N-(4-methylpiperazin-1-yl)propanamide
CID 94759107
3-(3-amino-4-propoxyphenyl)-N-(2-methylpropyl)propanamide
CID 82152739
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 82153666
3-(3-amino-4-propan-2-yloxyphenyl)-N-(3-hydroxyphenyl)propanamide
CID 94760260
N-[(2R)-2-hydroxypropyl]-3-(4-methylphenyl)propanamide
CID 83032441
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 82071517
3-[4-(difluoromethoxy)phenyl]-N-(2-hydroxypropyl)propanamide
CID 110886635
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
3-[3-amino-4-(3-methylbutoxy)phenyl]-N-(3-methylbutyl)propanamide
CID 94759187

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide?
The IUPAC name of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide (CID 82152698) is 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide?
The canonical SMILES for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide is CC(O)CNC(=O)CCc1ccc(OC(C)C)c(N)c1.
What is the InChIKey of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide?
The InChIKey is CYTYZJYYTLGROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)20-14-6-4-12(8-13(14)16)5-7-15(19)17-9-11(3)18/h4,6,8,10-11,18H,5,7,9,16H2,1-3H3,(H,17,19).
What are the key properties of 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide?
3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide has a molecular weight of 280.37 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-propan-2-yloxyphenyl)-N-(2-hydroxypropyl)propanamide is sourced from PubChem (CID 82152698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).