3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide

C15H22N2O4 — CID 64891744

IUPAC3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCOc1cccc(CN(C)C(=O)C2(N)CCOC2)c1OC
InChIInChI=1S/C15H22N2O4/c1-17(14(18)15(16)7-8-21-10-15)9-11-5-4-6-12(19-2)13(11)20-3/h4-6H,7-10,16H2,1-3H3
InChIKeyBVMUNMPGMFYFFC-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.78
Rot. Bonds5

About 3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide

3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide (PubChem CID 64891744) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide
PubChem CID64891744
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide
SMILESCOc1cccc(CN(C)C(=O)C2(N)CCOC2)c1OC
InChIInChI=1S/C15H22N2O4/c1-17(14(18)15(16)7-8-21-10-15)9-11-5-4-6-12(19-2)13(11)20-3/h4-6H,7-10,16H2,1-3H3
InChIKeyBVMUNMPGMFYFFC-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60937332
3-amino-N-[(3-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64893376
N-[(2,3-dimethoxyphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63140447
3-amino-N-[(3-bromophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 64892163
2-hydroxyethyl N-[(2,3-dimethoxyphenyl)methyl]-N-methylcarbamate
CID 79346244
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
(2S)-2-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 79024645
3-amino-N-methyl-N-(1H-pyrazol-4-ylmethyl)oxolane-3-carboxamide
CID 64893014
4-amino-N-benzyl-N-methyloxane-4-carboxamide
CID 115293535
N-[(2,3-dimethoxyphenyl)methyl]-3-methyloxolan-3-amine
CID 115768698
6-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylhexanamide
CID 60936664
3-amino-N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79378741

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide (CID 64891744) is 3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide is COc1cccc(CN(C)C(=O)C2(N)CCOC2)c1OC.
What is the InChIKey of 3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
The InChIKey is BVMUNMPGMFYFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-17(14(18)15(16)7-8-21-10-15)9-11-5-4-6-12(19-2)13(11)20-3/h4-6H,7-10,16H2,1-3H3.
What are the key properties of 3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide?
3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 64891744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).