N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide

C18H25NO6 — CID 71910445

IUPACN-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CC(C)(C)OC2=O)c(OC)c1OC
InChIInChI=1S/C18H25NO6/c1-18(2)10-12(17(21)25-18)19-14(20)9-7-11-6-8-13(22-3)16(24-5)15(11)23-4/h6,8,12H,7,9-10H2,1-5H3,(H,19,20)
InChIKeyHJVQKPYQXQSBMA-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.86
Rot. Bonds7

About N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide

N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide (PubChem CID 71910445) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
PubChem CID71910445
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC NameN-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CC(C)(C)OC2=O)c(OC)c1OC
InChIInChI=1S/C18H25NO6/c1-18(2)10-12(17(21)25-18)19-14(20)9-7-11-6-8-13(22-3)16(24-5)15(11)23-4/h6,8,12H,7,9-10H2,1-5H3,(H,19,20)
InChIKeyHJVQKPYQXQSBMA-UHFFFAOYSA-N
XLogP1.86
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpiperidin-4-yl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 120599219
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
CID 119171700
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42647584
3-(2,4-dichlorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100608648
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119997065
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 133228268
N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 52507353
N-[(1R)-1-cyanopropyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 95383426
N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119643835
3-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133200026

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The IUPAC name of N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide (CID 71910445) is N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide is COc1ccc(CCC(=O)NC2CC(C)(C)OC2=O)c(OC)c1OC.
What is the InChIKey of N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide?
The InChIKey is HJVQKPYQXQSBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-18(2)10-12(17(21)25-18)19-14(20)9-7-11-6-8-13(22-3)16(24-5)15(11)23-4/h6,8,12H,7,9-10H2,1-5H3,(H,19,20).
What are the key properties of N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide?
N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide has a molecular weight of 351.40 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-(2,3,4-trimethoxyphenyl)propanamide is sourced from PubChem (CID 71910445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).