N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide

C13H19NO3 — CID 64592034

IUPACN-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
SMILESCOc1cc(CN(C)C(=O)C(C)C)ccc1O
InChIInChI=1S/C13H19NO3/c1-9(2)13(16)14(3)8-10-5-6-11(15)12(7-10)17-4/h5-7,9,15H,8H2,1-4H3
InChIKeyQWZIVFKVQTXEDI-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.02
Rot. Bonds4

About N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide

N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide (PubChem CID 64592034) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
PubChem CID64592034
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
SMILESCOc1cc(CN(C)C(=O)C(C)C)ccc1O
InChIInChI=1S/C13H19NO3/c1-9(2)13(16)14(3)8-10-5-6-11(15)12(7-10)17-4/h5-7,9,15H,8H2,1-4H3
InChIKeyQWZIVFKVQTXEDI-UHFFFAOYSA-N
XLogP2.02
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 79012977
(2S)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 79024662
(2R)-2-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,3,3-trimethylbutanamide
CID 103929356
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073
4-[(4-hydroxy-3-methoxyphenyl)methyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992880
5-chloro-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylfuran-2-carboxamide
CID 103800995
1-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119279477
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 43573898
2-(aminomethyl)-2-ethyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbutanamide
CID 115432186
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 60962823
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide (CID 64592034) is N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide is COc1cc(CN(C)C(=O)C(C)C)ccc1O.
What is the InChIKey of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide?
The InChIKey is QWZIVFKVQTXEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)13(16)14(3)8-10-5-6-11(15)12(7-10)17-4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide?
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 64592034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).