N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide

C13H19NO3 — CID 62334596

IUPACN-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide
SMILESCOc1ccc(C)cc1C(=O)N(C)CC(C)O
InChIInChI=1S/C13H19NO3/c1-9-5-6-12(17-4)11(7-9)13(16)14(3)8-10(2)15/h5-7,10,15H,8H2,1-4H3
InChIKeyQYQRDZWPWLWSMW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.46
Rot. Bonds4

About N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide

N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide (PubChem CID 62334596) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide
PubChem CID62334596
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide
SMILESCOc1ccc(C)cc1C(=O)N(C)CC(C)O
InChIInChI=1S/C13H19NO3/c1-9-5-6-12(17-4)11(7-9)13(16)14(3)8-10(2)15/h5-7,10,15H,8H2,1-4H3
InChIKeyQYQRDZWPWLWSMW-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N,5-dimethylbenzohydrazide
CID 116845575
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,5-dimethylbenzamide
CID 115272623
2-methoxy-5-methyl-N,N-dipropylbenzamide
CID 110761077
5-chloro-N-(2-cyanopropyl)-2-methoxy-N-methylbenzamide
CID 47402460
N-(2-cyanopropyl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 62503366
N-[(2-methoxy-5-methylphenyl)methyl]-N,2-dimethylpropanamide
CID 60666350
2-bromo-N,5-dimethyl-N-(2-methylpropyl)benzamide
CID 80980455
2-(2,4-dimethylphenoxy)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334574
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxy-3-methoxypropyl)-N,5-dimethylbenzamide
CID 111695032
2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 103452969
2-methyl-3-[methyl-(2,4,5-trimethoxybenzoyl)amino]propanoic acid
CID 119228595
N-[2-(dimethylamino)ethyl]-2-methoxy-N,4-dimethylbenzamide
CID 58484242

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide?
The IUPAC name of N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide (CID 62334596) is N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide is COc1ccc(C)cc1C(=O)N(C)CC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide?
The InChIKey is QYQRDZWPWLWSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-5-6-12(17-4)11(7-9)13(16)14(3)8-10(2)15/h5-7,10,15H,8H2,1-4H3.
What are the key properties of N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide?
N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide is sourced from PubChem (CID 62334596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).