2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide

C12H17NO3 — CID 141298462

IUPAC2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)C(O)CO)cc1
InChIInChI=1S/C12H17NO3/c1-8-3-5-10(6-4-8)9(2)13-12(16)11(15)7-14/h3-6,9,11,14-15H,7H2,1-2H3,(H,13,16)
InChIKeyCMOIFVVREIWZHU-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.53
Rot. Bonds4

About 2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide

2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide (PubChem CID 141298462) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide
PubChem CID141298462
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide
SMILESCc1ccc(C(C)NC(=O)C(O)CO)cc1
InChIInChI=1S/C12H17NO3/c1-8-3-5-10(6-4-8)9(2)13-12(16)11(15)7-14/h3-6,9,11,14-15H,7H2,1-2H3,(H,13,16)
InChIKeyCMOIFVVREIWZHU-UHFFFAOYSA-N
XLogP0.53
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 81356180
2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate
CID 81357175
(2R)-2-amino-3-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81357169
2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 81356918
(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258
(2R)-2-amino-N-[1-(4-methylphenyl)ethyl]pentanamide
CID 103794630
1-(1-hydroxybutan-2-yl)-3-[1-(4-methylphenyl)ethyl]urea
CID 110901106
(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81356570
3-amino-2-methoxy-N-[1-(4-methylphenyl)ethyl]propanamide
CID 106111839
3-amino-2-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 106113248
5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide (CID 141298462) is 2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide is Cc1ccc(C(C)NC(=O)C(O)CO)cc1.
What is the InChIKey of 2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide?
The InChIKey is CMOIFVVREIWZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-3-5-10(6-4-8)9(2)13-12(16)11(15)7-14/h3-6,9,11,14-15H,7H2,1-2H3,(H,13,16).
What are the key properties of 2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide?
2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide has a molecular weight of 223.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 141298462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).