N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide

C16H23NO4 — CID 78808324

IUPACN-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)C1CCCO1
InChIInChI=1S/C16H23NO4/c1-4-17(16(18)14-6-5-9-21-14)11-12-7-8-13(19-2)15(10-12)20-3/h7-8,10,14H,4-6,9,11H2,1-3H3
InChIKeyWPNZAIABKOQPFR-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.23
Rot. Bonds6

About N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide (PubChem CID 78808324) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide
PubChem CID78808324
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide
SMILESCCN(Cc1ccc(OC)c(OC)c1)C(=O)C1CCCO1
InChIInChI=1S/C16H23NO4/c1-4-17(16(18)14-6-5-9-21-14)11-12-7-8-13(19-2)15(10-12)20-3/h7-8,10,14H,4-6,9,11H2,1-3H3
InChIKeyWPNZAIABKOQPFR-UHFFFAOYSA-N
XLogP2.23
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-methyloxolane-2-carboxamide
CID 94182088
cis-(1S,3R)-3-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopentane-1-carboxamide
CID 124683673
3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea
CID 86916160
2-[acetyl-[(3,4-dimethoxyphenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113165554
3-(5-chlorothiophen-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 55876165
(2R)-N-cyclopropyl-N-[[4-methoxy-3-(2-pyridin-2-ylethoxy)phenyl]methyl]oxolane-2-carboxamide
CID 42171769
3,4-dimethoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 24678698
N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide
CID 42778185
methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
CID 61009322
N-[(3,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 51687516
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 51292234
2-(3,4-dimethoxyphenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]acetamide
CID 108558758

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide (CID 78808324) is N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide is CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1CCCO1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide?
The InChIKey is WPNZAIABKOQPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-17(16(18)14-6-5-9-21-14)11-12-7-8-13(19-2)15(10-12)20-3/h7-8,10,14H,4-6,9,11H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide has a molecular weight of 293.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-N-ethyloxolane-2-carboxamide is sourced from PubChem (CID 78808324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).