N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide

C15H23NO3 — CID 55061167

IUPACN-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide
SMILESCC(O)CN(C)C(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)19-10-13-5-7-14(8-6-13)15(18)16(4)9-12(3)17/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyFYHWAQCIAVWUGU-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.06
Rot. Bonds6

About N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide

N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide (PubChem CID 55061167) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide
PubChem CID55061167
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide
SMILESCC(O)CN(C)C(=O)c1ccc(COC(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-11(2)19-10-13-5-7-14(8-6-13)15(18)16(4)9-12(3)17/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyFYHWAQCIAVWUGU-UHFFFAOYSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62334746
4-bromo-N-[(2S)-2-hydroxypropyl]-N-methylbenzamide
CID 146272515
4-carbamothioyl-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62336591
N-(2-hydroxypropyl)-N-methyl-4-(2-methylpropoxy)benzamide
CID 55061119
2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid
CID 61013289
N-ethyl-2-[4-(propan-2-yloxymethyl)phenyl]acetamide
CID 142183434
2-[[4-(propan-2-yloxymethyl)benzoyl]-prop-2-ynylamino]acetic acid
CID 79271757
N-(2-hydroxypropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62334420
7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one
CID 148857999
N-(2-hydroxypropyl)-N-methyl-4-(propylamino)benzamide
CID 62335915
4-(propan-2-yloxymethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103726179
N-(2-hydroxypentyl)-4-(propan-2-yloxymethyl)benzamide
CID 115700661

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide (CID 55061167) is N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide is CC(O)CN(C)C(=O)c1ccc(COC(C)C)cc1.
What is the InChIKey of N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide?
The InChIKey is FYHWAQCIAVWUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)19-10-13-5-7-14(8-6-13)15(18)16(4)9-12(3)17/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide?
N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N-methyl-4-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 55061167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).