N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide

C16H24N2O4 — CID 131947258

IUPACN-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide
SMILESCOCC(O)CN(C)C(=O)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C16H24N2O4/c1-11(2)15(20)17-13-7-5-6-12(8-13)16(21)18(3)9-14(19)10-22-4/h5-8,11,14,19H,9-10H2,1-4H3,(H,17,20)
InChIKeyJOGPSPHFGCOOHF-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.36
Rot. Bonds7

About N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide

N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide (PubChem CID 131947258) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide
PubChem CID131947258
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide
SMILESCOCC(O)CN(C)C(=O)c1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C16H24N2O4/c1-11(2)15(20)17-13-7-5-6-12(8-13)16(21)18(3)9-14(19)10-22-4/h5-8,11,14,19H,9-10H2,1-4H3,(H,17,20)
InChIKeyJOGPSPHFGCOOHF-UHFFFAOYSA-N
XLogP1.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
CID 47163271
3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058978
N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
4-(ethylamino)-N-(2-hydroxy-3-methoxypropyl)-N,3-dimethylbenzamide
CID 63213865
6-bromo-N-(2-hydroxy-3-methoxypropyl)-N-methylnaphthalene-2-carboxamide
CID 115283349
3-amino-4-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 54994745
ethyl 3-(2-methylpropanoylamino)benzoate
CID 836905
1-(3-acetylphenyl)-3-(3-hydroxy-4-methoxybutyl)urea
CID 103876096
N-(3-butoxypropyl)-3-(2-methylpropanoylamino)benzamide
CID 4531825
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N,2-diphenylacetamide
CID 111543934
(2R)-N-(3,4-dimethylphenyl)-2-[[(2R)-2-hydroxy-3-methoxypropyl]-methylamino]propanamide
CID 129378013
3-(2-ethyl-6-methylphenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 110903869

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide (CID 131947258) is N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide is COCC(O)CN(C)C(=O)c1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide?
The InChIKey is JOGPSPHFGCOOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11(2)15(20)17-13-7-5-6-12(8-13)16(21)18(3)9-14(19)10-22-4/h5-8,11,14,19H,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide?
N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide has a molecular weight of 308.38 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 131947258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).