N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide

C15H22N2O4 — CID 66266787

IUPACN-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCCOc1cc(NC(=O)C2COCC2NC)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-4-21-14-7-10(5-6-13(14)19-3)17-15(18)11-8-20-9-12(11)16-2/h5-7,11-12,16H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyBJBIPLCINMTYTB-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.27
Rot. Bonds6

About N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide

N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66266787) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide
PubChem CID66266787
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide
SMILESCCOc1cc(NC(=O)C2COCC2NC)ccc1OC
InChIInChI=1S/C15H22N2O4/c1-4-21-14-7-10(5-6-13(14)19-3)17-15(18)11-8-20-9-12(11)16-2/h5-7,11-12,16H,4,8-9H2,1-3H3,(H,17,18)
InChIKeyBJBIPLCINMTYTB-UHFFFAOYSA-N
XLogP1.27
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-3-methoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 82867796
2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791430
4-methoxy-3-[[4-(methylamino)oxolane-3-carbonyl]amino]benzoic acid
CID 66266071
N-(3-bromo-4-methylphenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66265081
N-(3-ethoxy-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981746
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
(2S,5R)-5-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)oxolane-2-carboxamide
CID 120786894
N-(3-fluorophenyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267926
N-(1,3-benzothiazol-6-yl)-4-(methylamino)oxolane-3-carboxamide
CID 107805191
3-amino-N-(3-ethoxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 64892534
(2S)-N-(3-ethoxy-4-methoxyphenyl)piperidine-2-carboxamide
CID 103808938
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66265055

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide (CID 66266787) is N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide is CCOc1cc(NC(=O)C2COCC2NC)ccc1OC.
What is the InChIKey of N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is BJBIPLCINMTYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-21-14-7-10(5-6-13(14)19-3)17-15(18)11-8-20-9-12(11)16-2/h5-7,11-12,16H,4,8-9H2,1-3H3,(H,17,18).
What are the key properties of N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide?
N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-4-methoxyphenyl)-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66266787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).