N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide

C15H22N2O4 — CID 102695461

IUPACN-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1cc(OC)ccc1O
InChIInChI=1S/C15H22N2O4/c1-3-6-16-13-9-21-8-11(13)15(19)17-12-7-10(20-2)4-5-14(12)18/h4-5,7,11,13,16,18H,3,6,8-9H2,1-2H3,(H,17,19)
InChIKeyQGIFOPYISDHQJD-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.35
Rot. Bonds6

About N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide

N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide (PubChem CID 102695461) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide
PubChem CID102695461
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)Nc1cc(OC)ccc1O
InChIInChI=1S/C15H22N2O4/c1-3-6-16-13-9-21-8-11(13)15(19)17-12-7-10(20-2)4-5-14(12)18/h4-5,7,11,13,16,18H,3,6,8-9H2,1-2H3,(H,17,19)
InChIKeyQGIFOPYISDHQJD-UHFFFAOYSA-N
XLogP1.35
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66259800
N-(2,4-dimethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254391
2-(2-bromo-5-methoxyphenyl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 116587882
N-(4-bromo-2-ethylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 81287725
N-(2-chloro-4-iodophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254611
N-(2-bromo-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66254786
N-(4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66255163
N-(2-methylpyrazol-3-yl)-4-(propylamino)oxolane-3-carboxamide
CID 66256735
N-(3-fluoro-4-pyridinyl)-4-(propylamino)oxolane-3-carboxamide
CID 107594898
N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 82683106
N-(3-carbamoylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256350
methyl 4-(propylamino)oxolane-3-carboxylate
CID 66252301

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide (CID 102695461) is N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)Nc1cc(OC)ccc1O.
What is the InChIKey of N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is QGIFOPYISDHQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-6-16-13-9-21-8-11(13)15(19)17-12-7-10(20-2)4-5-14(12)18/h4-5,7,11,13,16,18H,3,6,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide?
N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methoxyphenyl)-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 102695461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).