2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide

C14H22N2O3 — CID 81134737

IUPAC2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
SMILESCOc1cccc(C(O)CNCC(=O)NC(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-10(2)16-14(18)9-15-8-13(17)11-5-4-6-12(7-11)19-3/h4-7,10,13,15,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyUOWCZYFJIXFSNE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.84
Rot. Bonds7

About 2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide

2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide (PubChem CID 81134737) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
PubChem CID81134737
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
SMILESCOc1cccc(C(O)CNCC(=O)NC(C)C)c1
InChIInChI=1S/C14H22N2O3/c1-10(2)16-14(18)9-15-8-13(17)11-5-4-6-12(7-11)19-3/h4-7,10,13,15,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyUOWCZYFJIXFSNE-UHFFFAOYSA-N
XLogP0.84
TPSA70.59 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 ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 28596145
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
CID 119765490
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
CID 81373150
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111115210

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide (CID 81134737) is 2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide is COc1cccc(C(O)CNCC(=O)NC(C)C)c1.
What is the InChIKey of 2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide?
The InChIKey is UOWCZYFJIXFSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)16-14(18)9-15-8-13(17)11-5-4-6-12(7-11)19-3/h4-7,10,13,15,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide?
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 266.34 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 81134737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).