2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide

C15H22N2O4 — CID 61140420

IUPAC2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
SMILESCOc1cc(N)c(C(=O)NCC2CCCOC2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-19-13-6-11(12(16)7-14(13)20-2)15(18)17-8-10-4-3-5-21-9-10/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyIGIFYPBHHMEHOK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.44
Rot. Bonds5

About 2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide

2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide (PubChem CID 61140420) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
PubChem CID61140420
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
SMILESCOc1cc(N)c(C(=O)NCC2CCCOC2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-19-13-6-11(12(16)7-14(13)20-2)15(18)17-8-10-4-3-5-21-9-10/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,18)
InChIKeyIGIFYPBHHMEHOK-UHFFFAOYSA-N
XLogP1.44
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.44
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

2-amino-N-(cyclopentylmethyl)-4-(difluoromethoxy)-5-methoxybenzamide
CID 166391046
3-hydroxy-4-methoxy-N-(oxan-3-ylmethyl)benzamide
CID 79672650
2-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 114922848
4-amino-2-chloro-N-(oxan-3-ylmethyl)benzamide
CID 61140038
4-amino-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81240575
2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
CID 80716754
6-amino-N-(oxolan-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 103542906
3-amino-2-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115548779
2-amino-N-(oxan-3-ylmethyl)quinoline-4-carboxamide
CID 62160787
3-amino-2,6-difluoro-N-(oxan-3-ylmethyl)benzamide
CID 79773802
5-amino-2-methoxy-4-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 79962057
5-amino-2-methoxy-N-(oxan-4-ylmethyl)benzamide
CID 55226609

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide?
The IUPAC name of 2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide (CID 61140420) is 2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide?
The canonical SMILES for 2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide is COc1cc(N)c(C(=O)NCC2CCCOC2)cc1OC.
What is the InChIKey of 2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide?
The InChIKey is IGIFYPBHHMEHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-13-6-11(12(16)7-14(13)20-2)15(18)17-8-10-4-3-5-21-9-10/h6-7,10H,3-5,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide?
2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide has a molecular weight of 294.35 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide is sourced from PubChem (CID 61140420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).