4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide

C16H24N2O3 — CID 104765742

IUPAC4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide
SMILESCCNc1ccc(C(=O)NCC2(OC)CCOC2)cc1C
InChIInChI=1S/C16H24N2O3/c1-4-17-14-6-5-13(9-12(14)2)15(19)18-10-16(20-3)7-8-21-11-16/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyFZTFAXIUAZKCEP-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.96
Rot. Bonds6

About 4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide

4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide (PubChem CID 104765742) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide
PubChem CID104765742
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide
SMILESCCNc1ccc(C(=O)NCC2(OC)CCOC2)cc1C
InChIInChI=1S/C16H24N2O3/c1-4-17-14-6-5-13(9-12(14)2)15(19)18-10-16(20-3)7-8-21-11-16/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H,18,19)
InChIKeyFZTFAXIUAZKCEP-UHFFFAOYSA-N
XLogP1.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104709027
N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide
CID 104764689
4-(ethylamino)-3-methyl-N-(1-methylcyclopropyl)benzamide
CID 113485970
N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104761389
2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-3-carboxamide
CID 104765708
5-iodo-N-[(3-methoxyoxolan-3-yl)methyl]thiophene-3-carboxamide
CID 104708936
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]-5-methylbenzamide
CID 104758367
3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758337
4-amino-2-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116673299
2-[2-[(3-methoxyoxolan-3-yl)methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 104764761
ethyl 4-amino-3-[(3-methoxyoxolan-3-yl)methylamino]benzoate
CID 104765070
5-chloro-2-hydroxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104708991

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide?
The IUPAC name of 4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide (CID 104765742) is 4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide is CCNc1ccc(C(=O)NCC2(OC)CCOC2)cc1C.
What is the InChIKey of 4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide?
The InChIKey is FZTFAXIUAZKCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-17-14-6-5-13(9-12(14)2)15(19)18-10-16(20-3)7-8-21-11-16/h5-6,9,17H,4,7-8,10-11H2,1-3H3,(H,18,19).
What are the key properties of 4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide?
4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide is sourced from PubChem (CID 104765742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).