3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide

C14H20N2O4 — CID 104758337

IUPAC3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
SMILESCOc1cc(N)cc(C(=O)NCC2(OC)CCOC2)c1
InChIInChI=1S/C14H20N2O4/c1-18-12-6-10(5-11(15)7-12)13(17)16-8-14(19-2)3-4-20-9-14/h5-7H,3-4,8-9,15H2,1-2H3,(H,16,17)
InChIKeyLSYVOXJCYCORBW-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.81
Rot. Bonds5

About 3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide

3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide (PubChem CID 104758337) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
PubChem CID104758337
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
SMILESCOc1cc(N)cc(C(=O)NCC2(OC)CCOC2)c1
InChIInChI=1S/C14H20N2O4/c1-18-12-6-10(5-11(15)7-12)13(17)16-8-14(19-2)3-4-20-9-14/h5-7H,3-4,8-9,15H2,1-2H3,(H,16,17)
InChIKeyLSYVOXJCYCORBW-UHFFFAOYSA-N
XLogP0.81
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methoxybenzamide
CID 115453958
N-[(3-methoxyoxolan-3-yl)methyl]-4-sulfamoylbenzamide
CID 104764689
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-bromo-4-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104709027
2-amino-5-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758342
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea
CID 104762349
4-(ethylamino)-N-[(3-methoxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 104765742
3-amino-N-[(3-methoxyoxolan-3-yl)methyl]pyridine-2-carboxamide
CID 104761387
N-[(3-methoxyoxolan-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104761389
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The IUPAC name of 3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide (CID 104758337) is 3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide is COc1cc(N)cc(C(=O)NCC2(OC)CCOC2)c1.
What is the InChIKey of 3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
The InChIKey is LSYVOXJCYCORBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-18-12-6-10(5-11(15)7-12)13(17)16-8-14(19-2)3-4-20-9-14/h5-7H,3-4,8-9,15H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide?
3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide has a molecular weight of 280.32 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]benzamide is sourced from PubChem (CID 104758337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).