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

C13H19NO4 — CID 2878092

IUPAC3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H19NO4/c1-9(8-16-2)14-13(15)10-5-11(17-3)7-12(6-10)18-4/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyXONLURJUNCDYFS-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.47
Rot. Bonds6

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

3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 2878092) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide
PubChem CID2878092
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)NC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C13H19NO4/c1-9(8-16-2)14-13(15)10-5-11(17-3)7-12(6-10)18-4/h5-7,9H,8H2,1-4H3,(H,14,15)
InChIKeyXONLURJUNCDYFS-UHFFFAOYSA-N
XLogP1.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Troxipide
CID 5597
N-(1-benzylpiperidin-4-yl)-3,5-dimethoxybenzamide
CID 14514271
Benzamide, N-tetrahydrofurfuryl-3-methoxy-
CID 531836
4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 2222926
3-Methoxy-N-piperidin-4-yl-benzamide
CID 1445157
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915995
3-methoxy-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 3118713
3,5-Dimethoxybenzamide
CID 72878
(3,3-Dimethyl-2-oxobutyl) 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 2441577
N-benzhydryl-3,5-dimethoxybenzamide
CID 873122
2-Benzamidoethyl 3,4,5-trimethoxybenzoate
CID 1940983

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide (CID 2878092) is 3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide is COCC(C)NC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is XONLURJUNCDYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(8-16-2)14-13(15)10-5-11(17-3)7-12(6-10)18-4/h5-7,9H,8H2,1-4H3,(H,14,15).
What are the key properties of 3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide?
3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 253.30 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 2878092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).