(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide

C14H22N2O3 — CID 61156291

IUPAC(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-10(2)16(7-8-17)14(19)13(15)9-11-3-5-12(18)6-4-11/h3-6,10,13,17-18H,7-9,15H2,1-2H3/t13-/m0/s1
InChIKeyNBQFACWZEBICIF-ZDUSSCGKSA-N
MW266.34 g/mol
LogP0.49
Rot. Bonds6

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

(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide (PubChem CID 61156291) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
PubChem CID61156291
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C14H22N2O3/c1-10(2)16(7-8-17)14(19)13(15)9-11-3-5-12(18)6-4-11/h3-6,10,13,17-18H,7-9,15H2,1-2H3/t13-/m0/s1
InChIKeyNBQFACWZEBICIF-ZDUSSCGKSA-N
XLogP0.49
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-hydroxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 76893980
(2R)-2-amino-N-(2-cyanoethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide
CID 104904779
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propylpropanamide
CID 61163358
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-butan-2-ylamino]acetic acid
CID 61160929
2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 107199354
2-amino-N-butan-2-yl-3-(4-hydroxyphenyl)-N-(2-methoxyethyl)propanamide
CID 76911958
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
(2S)-2-amino-N-(2-hydroxyethyl)-4-phenyl-N-propan-2-ylbutanamide
CID 104983951
2-amino-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylpentanamide
CID 43579455
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide (CID 61156291) is (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide is CC(C)N(CCO)C(=O)[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide?
The InChIKey is NBQFACWZEBICIF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16(7-8-17)14(19)13(15)9-11-3-5-12(18)6-4-11/h3-6,10,13,17-18H,7-9,15H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide?
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 61156291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).