2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide

C15H22N2O4 — CID 115950596

IUPAC2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)N(C)CC2CCCO2)c1
InChIInChI=1S/C15H22N2O4/c1-17(9-10-5-4-6-21-10)15(18)12-7-11(19-2)8-13(20-3)14(12)16/h7-8,10H,4-6,9,16H2,1-3H3
InChIKeyUPIZNZZYESUSCY-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.54
Rot. Bonds5

About 2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide

2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 115950596) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID115950596
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1cc(OC)c(N)c(C(=O)N(C)CC2CCCO2)c1
InChIInChI=1S/C15H22N2O4/c1-17(9-10-5-4-6-21-10)15(18)12-7-11(19-2)8-13(20-3)14(12)16/h7-8,10H,4-6,9,16H2,1-3H3
InChIKeyUPIZNZZYESUSCY-UHFFFAOYSA-N
XLogP1.54
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-3,5-dimethoxy-N-methylbenzamide
CID 112606101
5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61430371
2-amino-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 55100104
3-(2,4-dimethoxyphenyl)-N-methyl-N-(oxolan-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 56503666
5-amino-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435935
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
5-amino-2-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430467
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-5-methoxy-N-methyl-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 42473774
2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436423
2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 115540489
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 115950596) is 2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide is COc1cc(OC)c(N)c(C(=O)N(C)CC2CCCO2)c1.
What is the InChIKey of 2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is UPIZNZZYESUSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17(9-10-5-4-6-21-10)15(18)12-7-11(19-2)8-13(20-3)14(12)16/h7-8,10H,4-6,9,16H2,1-3H3.
What are the key properties of 2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 294.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-dimethoxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 115950596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).