N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide

C12H17NO3 — CID 115589835

IUPACN-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
SMILESCOC(C)C(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-9(16-3)12(15)13(2)8-10-5-4-6-11(14)7-10/h4-7,9,14H,8H2,1-3H3
InChIKeyDZNOACZWEHIDPW-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.39
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide

N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide (PubChem CID 115589835) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
PubChem CID115589835
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
SMILESCOC(C)C(=O)N(C)Cc1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-9(16-3)12(15)13(2)8-10-5-4-6-11(14)7-10/h4-7,9,14H,8H2,1-3H3
InChIKeyDZNOACZWEHIDPW-UHFFFAOYSA-N
XLogP1.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
2-methoxy-N-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 112685838
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
CID 113416227
(2S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylbutanamide
CID 61164005
(2S,3S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164196
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
N-[(3-hydroxyphenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 54874125
2-(aminomethyl)-N-[(3-hydroxyphenyl)methyl]-N,4,4-trimethylpentanamide
CID 107471648
4-amino-5-[(3-hydroxyphenyl)methyl-methylamino]-5-oxopentanoic acid
CID 64890296
N-[(3-hydroxyphenyl)methyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 54874164
phenyl N-[(3-hydroxyphenyl)methyl]-N-methylcarbamate
CID 64592873
2-ethoxy-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 86985470

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide (CID 115589835) is N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide is COC(C)C(=O)N(C)Cc1cccc(O)c1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide?
The InChIKey is DZNOACZWEHIDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(16-3)12(15)13(2)8-10-5-4-6-11(14)7-10/h4-7,9,14H,8H2,1-3H3.
What are the key properties of N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide?
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide has a molecular weight of 223.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide is sourced from PubChem (CID 115589835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).