2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

C15H24N2O3 — CID 76893980

IUPAC2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O3/c1-11(2)17(8-3-9-18)15(20)14(16)10-12-4-6-13(19)7-5-12/h4-7,11,14,18-19H,3,8-10,16H2,1-2H3
InChIKeyYYWBYZTUAJTASQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.88
Rot. Bonds7

About 2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (PubChem CID 76893980) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
PubChem CID76893980
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H24N2O3/c1-11(2)17(8-3-9-18)15(20)14(16)10-12-4-6-13(19)7-5-12/h4-7,11,14,18-19H,3,8-10,16H2,1-2H3
InChIKeyYYWBYZTUAJTASQ-UHFFFAOYSA-N
XLogP0.88
TPSA86.79 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 ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
CID 61156291
(2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
CID 104904779
2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 107199354
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propylpropanamide
CID 61163358
(2S,3S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-hexylamino]-3-methylpentanamide
CID 174387230
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-butan-2-ylamino]acetic acid
CID 61160929
2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76911958
(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (CID 76893980) is 2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is CC(C)N(CCCO)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The InChIKey is YYWBYZTUAJTASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11(2)17(8-3-9-18)15(20)14(16)10-12-4-6-13(19)7-5-12/h4-7,11,14,18-19H,3,8-10,16H2,1-2H3.
What are the key properties of 2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide has a molecular weight of 280.37 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 76893980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).