N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide

C13H19NO4 — CID 112704642

IUPACN-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(OC)c(C(=O)N(C)C(C)CO)c1
InChIInChI=1S/C13H19NO4/c1-9(8-15)14(2)13(16)11-7-10(17-3)5-6-12(11)18-4/h5-7,9,15H,8H2,1-4H3
InChIKeyBPAAVHKALJBHCZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.16
Rot. Bonds5

About N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide

N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide (PubChem CID 112704642) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide
PubChem CID112704642
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide
SMILESCOc1ccc(OC)c(C(=O)N(C)C(C)CO)c1
InChIInChI=1S/C13H19NO4/c1-9(8-15)14(2)13(16)11-7-10(17-3)5-6-12(11)18-4/h5-7,9,15H,8H2,1-4H3
InChIKeyBPAAVHKALJBHCZ-UHFFFAOYSA-N
XLogP1.16
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanopropan-2-yl)-2,5-dimethoxy-N-methylbenzamide
CID 63224778
2,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 74627130
2,5-dimethoxy-N-methyl-N-(1-phenylethyl)benzamide
CID 43022056
N-[(2S)-1-hydroxypropan-2-yl]-2-methoxy-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 142623624
N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 112701391
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045
2,5-dimethoxy-N-methyl-N-phenylbenzamide
CID 16849123
2-bromo-5-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 60745117
N-(4-amino-4-sulfanylidenebutan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 63223316
N-(1-hydroxypropan-2-yl)-4,5-dimethoxy-N-methyl-2-nitrobenzamide
CID 104553488
2-chloro-1-(2,5-dimethoxyphenyl)butan-1-one
CID 82254816
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide (CID 112704642) is N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide is COc1ccc(OC)c(C(=O)N(C)C(C)CO)c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide?
The InChIKey is BPAAVHKALJBHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(8-15)14(2)13(16)11-7-10(17-3)5-6-12(11)18-4/h5-7,9,15H,8H2,1-4H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide?
N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide has a molecular weight of 253.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 112704642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).