N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide

C14H21NO4 — CID 82350259

IUPACN-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide
SMILESCCOc1cccc(CC(CO)CNC(C)=O)c1O
InChIInChI=1S/C14H21NO4/c1-3-19-13-6-4-5-12(14(13)18)7-11(9-16)8-15-10(2)17/h4-6,11,16,18H,3,7-9H2,1-2H3,(H,15,17)
InChIKeyZEUMQSTWFFSFJR-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.08
Rot. Bonds7

About N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide

N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide (PubChem CID 82350259) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide
PubChem CID82350259
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide
SMILESCCOc1cccc(CC(CO)CNC(C)=O)c1O
InChIInChI=1S/C14H21NO4/c1-3-19-13-6-4-5-12(14(13)18)7-11(9-16)8-15-10(2)17/h4-6,11,16,18H,3,7-9H2,1-2H3,(H,15,17)
InChIKeyZEUMQSTWFFSFJR-UHFFFAOYSA-N
XLogP1.08
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid
CID 62963313
3-[(3-ethoxy-2-hydroxyphenyl)methylamino]propane-1,2-diol
CID 66174868
2-[(2,2-difluoroethylamino)methyl]-6-ethoxyphenol
CID 115405717
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 54950309
ethyl 2-cyano-3-(3-ethoxy-2-hydroxyphenyl)propanoate
CID 82350256
2-(4-amino-2-methylbutyl)-6-ethoxyphenol
CID 83930768
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617
2-ethoxy-6-[(3-ethylpentan-3-ylamino)methyl]phenol
CID 65039266
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-[[2-(dimethylamino)propylamino]methyl]-6-ethoxyphenol
CID 54913244
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615270
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]hexanoic acid
CID 82364615

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide?
The IUPAC name of N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide (CID 82350259) is N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide.
What is the SMILES notation for N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide?
The canonical SMILES for N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide is CCOc1cccc(CC(CO)CNC(C)=O)c1O.
What is the InChIKey of N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide?
The InChIKey is ZEUMQSTWFFSFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-19-13-6-4-5-12(14(13)18)7-11(9-16)8-15-10(2)17/h4-6,11,16,18H,3,7-9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide?
N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide has a molecular weight of 267.32 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-ethoxy-2-hydroxyphenyl)methyl]-3-hydroxypropyl]acetamide is sourced from PubChem (CID 82350259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).