3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide

C12H18N2O2 — CID 115180788

IUPAC3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(O)CN
InChIInChI=1S/C12H18N2O2/c1-9-4-2-3-5-10(9)6-7-14-12(16)11(15)8-13/h2-5,11,15H,6-8,13H2,1H3,(H,14,16)
InChIKeyDMEYPGRSMGZDJZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.03
Rot. Bonds5

About 3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide

3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide (PubChem CID 115180788) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
PubChem CID115180788
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1CCNC(=O)C(O)CN
InChIInChI=1S/C12H18N2O2/c1-9-4-2-3-5-10(9)6-7-14-12(16)11(15)8-13/h2-5,11,15H,6-8,13H2,1H3,(H,14,16)
InChIKeyDMEYPGRSMGZDJZ-UHFFFAOYSA-N
XLogP-0.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methoxy-N-[2-(2-methylphenyl)ethyl]propanamide
CID 106113152
(2R)-2-chloro-N-[2-(2-methylphenyl)ethyl]propanamide
CID 51921905
3-amino-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79763048
2-methyl-3-(methylamino)-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79749486
3-chloro-2-methyl-N-[2-(2-methylphenyl)ethyl]propanamide
CID 79762696
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] (2R)-2-hydroxy-2-phenylacetate
CID 9007647
N-[2-(2-methylphenyl)ethyl]-2-propan-2-ylsulfanylpropanamide
CID 71896107
2-methyl-N-[2-(2-methylphenyl)ethyl]-2-phenylpropanamide
CID 46531773
1-[2-(2-bromophenyl)ethyl]-3-[2-(2-methylphenyl)ethyl]urea
CID 52797116
1-(3-hydroxypropyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 38155486
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
N-[2-(2-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032245

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide (CID 115180788) is 3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1CCNC(=O)C(O)CN.
What is the InChIKey of 3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is DMEYPGRSMGZDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-2-3-5-10(9)6-7-14-12(16)11(15)8-13/h2-5,11,15H,6-8,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide?
3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 222.29 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-[2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 115180788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).