N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide

C13H19NO2 — CID 140929179

IUPACN,N-dimethyl-3-(propan-2-yloxymethyl)benzamide
SMILESCC(C)OCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C13H19NO2/c1-10(2)16-9-11-6-5-7-12(8-11)13(15)14(3)4/h5-8,10H,9H2,1-4H3
InChIKeyKZDKXLBBTNOASV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.31
Rot. Bonds4

About N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide

N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide (PubChem CID 140929179) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(propan-2-yloxymethyl)benzamide
PubChem CID140929179
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN,N-dimethyl-3-(propan-2-yloxymethyl)benzamide
SMILESCC(C)OCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C13H19NO2/c1-10(2)16-9-11-6-5-7-12(8-11)13(15)14(3)4/h5-8,10H,9H2,1-4H3
InChIKeyKZDKXLBBTNOASV-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
3-[2-[[N-ethyl-N'-[[3-(propan-2-yloxymethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669634
[3-(dimethylcarbamoyl)phenyl]methyl (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride
CID 122155424
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
3-(2-amino-2-sulfanylideneethyl)-N,N-dimethylbenzamide
CID 82179287
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
N,N-dimethyl-3-[[(R)-[(2R)-1-oxo-1-(propylamino)propan-2-yl]sulfinyl]methyl]benzamide
CID 96548308
3-[2-[bis(dimethylamino)methylideneamino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111819607
2-chloro-N-propan-2-yl-N-[3-(propan-2-yloxymethyl)phenyl]acetamide
CID 20525446
1-methyl-3-(propan-2-yloxymethyl)benzene
CID 10464662

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide?
The IUPAC name of N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide (CID 140929179) is N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide.
What is the SMILES notation for N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide?
The canonical SMILES for N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide is CC(C)OCc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide?
The InChIKey is KZDKXLBBTNOASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)16-9-11-6-5-7-12(8-11)13(15)14(3)4/h5-8,10H,9H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide?
N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide has a molecular weight of 221.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide is sourced from PubChem (CID 140929179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).