3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide

C14H22N2O3 — CID 115180759

IUPAC3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCC(C)Oc1ccc(CCNC(=O)C(O)CN)cc1
InChIInChI=1S/C14H22N2O3/c1-10(2)19-12-5-3-11(4-6-12)7-8-16-14(18)13(17)9-15/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyAEMDCFFCIHZUTA-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.45
Rot. Bonds7

About 3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide

3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide (PubChem CID 115180759) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
PubChem CID115180759
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
SMILESCC(C)Oc1ccc(CCNC(=O)C(O)CN)cc1
InChIInChI=1S/C14H22N2O3/c1-10(2)19-12-5-3-11(4-6-12)7-8-16-14(18)13(17)9-15/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyAEMDCFFCIHZUTA-UHFFFAOYSA-N
XLogP0.45
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-hydroxy-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180718
2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 115260110
4-(hydroxymethyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 126821115
2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 116924949
2-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-3-propylguanidine
CID 111227199
N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide
CID 126828920
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
2-methyl-N'-[2-(4-propan-2-yloxyphenyl)ethyl]butane-1,4-diamine
CID 115203390
3-amino-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]-2-hydroxypropanamide
CID 115180756
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-propan-2-yloxybenzamide
CID 16889377
2-amino-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24710031

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The IUPAC name of 3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide (CID 115180759) is 3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide is CC(C)Oc1ccc(CCNC(=O)C(O)CN)cc1.
What is the InChIKey of 3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
The InChIKey is AEMDCFFCIHZUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)19-12-5-3-11(4-6-12)7-8-16-14(18)13(17)9-15/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide?
3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide is sourced from PubChem (CID 115180759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).