3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide

C18H19NO4 — CID 118785915

IUPAC3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cccc(-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H19NO4/c1-12(10-21-2)19-18(20)15-5-3-4-13(8-15)14-6-7-16-17(9-14)23-11-22-16/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyKIVHKZAQLDAQMF-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.85
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide

3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 118785915) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide
PubChem CID118785915
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cccc(-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H19NO4/c1-12(10-21-2)19-18(20)15-5-3-4-13(8-15)14-6-7-16-17(9-14)23-11-22-16/h3-9,12H,10-11H2,1-2H3,(H,19,20)
InChIKeyKIVHKZAQLDAQMF-UHFFFAOYSA-N
XLogP2.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxypropan-2-yl)-3-phenylbenzamide;hydrochloride
CID 172776403
methyl 3-(1,3-benzodioxol-5-yl)benzoate
CID 50888522
N-[(2S)-1-methoxypropan-2-yl]-3-pyrimidin-2-ylbenzamide
CID 125168230
N-(1-chloro-3-methoxypropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 114154989
N-(1,3-benzodioxol-5-yl)-N'-[(2R)-1-methoxypropan-2-yl]oxamide
CID 41452981
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1-methoxypropan-2-yl)quinoline-4-carboxamide
CID 51172531
7-chloro-N-[(2S)-1-methoxypropan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 34834045
N-[4-[2-(1,3-benzodioxole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 46689775
N-(4-amino-1-methoxybutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 106152620
1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-(4-aminopentan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 113376829
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-phenylbenzamide
CID 56725272

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide (CID 118785915) is 3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1cccc(-c2ccc3c(c2)OCO3)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is KIVHKZAQLDAQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-12(10-21-2)19-18(20)15-5-3-4-13(8-15)14-6-7-16-17(9-14)23-11-22-16/h3-9,12H,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide?
3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 313.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 118785915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).