2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide

C18H27NO4 — CID 56803297

IUPAC2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCO1)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H27NO4/c1-4-10-19(13-15-7-5-6-11-23-15)18(20)16-9-8-14(21-2)12-17(16)22-3/h8-9,12,15H,4-7,10-11,13H2,1-3H3
InChIKeyKJFLZQPGSJTXOE-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.13
Rot. Bonds7

About 2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide

2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide (PubChem CID 56803297) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
PubChem CID56803297
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide
SMILESCCCN(CC1CCCCO1)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C18H27NO4/c1-4-10-19(13-15-7-5-6-11-23-15)18(20)16-9-8-14(21-2)12-17(16)22-3/h8-9,12,15H,4-7,10-11,13H2,1-3H3
InChIKeyKJFLZQPGSJTXOE-UHFFFAOYSA-N
XLogP3.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dimethoxyphenyl)-N-(oxan-2-ylmethyl)-N-propylprop-2-enamide
CID 72688480
2,4-dimethoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 3681112
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-(oxolan-2-ylmethyl)-N-propylbenzamide
CID 45173624
2-methoxy-4-methyl-N-(oxolan-2-ylmethyl)-N-(2-phenoxyethyl)benzamide
CID 131916616
2,4-dimethoxy-N,N-dioctylbenzamide
CID 139819875
N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide
CID 91842038
N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide
CID 125165062
2,4-dimethoxy-N-[(7-methoxy-2-morpholin-4-ylquinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45196925
N-(2,4-dimethoxyphenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825214
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
2-bromo-5-nitro-N-[[(2S)-oxan-2-yl]methyl]-N-propylbenzamide
CID 99805228
2-bromo-5-nitro-N-[[(2R)-oxan-2-yl]methyl]-N-propylbenzamide
CID 99805229

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide?
The IUPAC name of 2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide (CID 56803297) is 2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide.
What is the SMILES notation for 2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide?
The canonical SMILES for 2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide is CCCN(CC1CCCCO1)C(=O)c1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide?
The InChIKey is KJFLZQPGSJTXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-4-10-19(13-15-7-5-6-11-23-15)18(20)16-9-8-14(21-2)12-17(16)22-3/h8-9,12,15H,4-7,10-11,13H2,1-3H3.
What are the key properties of 2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide?
2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide has a molecular weight of 321.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-(oxan-2-ylmethyl)-N-propylbenzamide is sourced from PubChem (CID 56803297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).