N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide

C13H20N2O2 — CID 110281401

IUPACN-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(O)CN(C)C
InChIInChI=1S/C13H20N2O2/c1-10-6-4-5-7-12(10)13(17)14-8-11(16)9-15(2)3/h4-7,11,16H,8-9H2,1-3H3,(H,14,17)
InChIKeySBOQYKBGQZMPQU-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.65
Rot. Bonds5

About N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide

N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide (PubChem CID 110281401) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide
PubChem CID110281401
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(O)CN(C)C
InChIInChI=1S/C13H20N2O2/c1-10-6-4-5-7-12(10)13(17)14-8-11(16)9-15(2)3/h4-7,11,16H,8-9H2,1-3H3,(H,14,17)
InChIKeySBOQYKBGQZMPQU-UHFFFAOYSA-N
XLogP0.65
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(dimethylamino)methyl]-2-methylbenzamide
CID 67624413
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
N-[(2S)-3-(dimethylamino)-2-hydroxypropyl]-2-(methylamino)pyridine-3-carboxamide
CID 125436111
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
N-[3-(dimethylamino)-2-hydroxypropyl]-2,4-difluorobenzamide
CID 110281414
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
2-chloro-N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-6-fluoro-3-methylbenzamide
CID 125438904
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
N-[(2S)-2,3-diamino-3-oxopropyl]-2-methylbenzamide
CID 58987558
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
N-(2-bromo-2-phenylethyl)-2-methylbenzamide
CID 114308218
2-[[(2-methylbenzoyl)amino]methyl]butanoic acid
CID 65220541

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide (CID 110281401) is N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(O)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide?
The InChIKey is SBOQYKBGQZMPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-6-4-5-7-12(10)13(17)14-8-11(16)9-15(2)3/h4-7,11,16H,8-9H2,1-3H3,(H,14,17).
What are the key properties of N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide?
N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylbenzamide is sourced from PubChem (CID 110281401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).