methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate

C14H21NO5 — CID 20765748

IUPACmethyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate
SMILESCOC(=O)c1ccc(NC(C)C(OC)OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-9(14(19-4)20-5)15-10-6-7-11(13(16)18-3)12(8-10)17-2/h6-9,14-15H,1-5H3
InChIKeyBFATXFLPUUYOOF-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.90
Rot. Bonds7

About methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate

methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate (PubChem CID 20765748) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate
PubChem CID20765748
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Namemethyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate
SMILESCOC(=O)c1ccc(NC(C)C(OC)OC)cc1OC
InChIInChI=1S/C14H21NO5/c1-9(14(19-4)20-5)15-10-6-7-11(13(16)18-3)12(8-10)17-2/h6-9,14-15H,1-5H3
InChIKeyBFATXFLPUUYOOF-UHFFFAOYSA-N
XLogP1.90
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methoxy-4-(2-methylpropylamino)benzoate
CID 83295320
methyl 4-(chlorosulfonylamino)-2-methoxybenzoate
CID 175564431
methyl 4-butan-2-yl-2-methoxybenzoate
CID 123894176
methyl 4-(benzylamino)-2-methoxybenzoate
CID 23068026
4-bromo-N-(1,1-dimethoxypropan-2-yl)-2-methoxybenzamide
CID 115369120
methyl 4-(3,4-dimethoxyphenyl)-2-methoxybenzoate
CID 14750800
CID 171840730
CID 171840730
methyl 2-methoxy-4-(pyridin-3-ylamino)benzoate
CID 23068205
methyl 2-chloro-5-(3-methylpentan-2-ylamino)benzoate
CID 43672639
methyl 2-methoxy-4-(trifluoromethyl)benzoate
CID 24728010
N-(4-acetyl-3-methoxyphenyl)acetamide
CID 13221159
methyl 4-(2-amino-1-bromo-2-oxoethyl)-2-methoxybenzoate
CID 170359273

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate?
The IUPAC name of methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate (CID 20765748) is methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate.
What is the SMILES notation for methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate?
The canonical SMILES for methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate is COC(=O)c1ccc(NC(C)C(OC)OC)cc1OC.
What is the InChIKey of methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate?
The InChIKey is BFATXFLPUUYOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-9(14(19-4)20-5)15-10-6-7-11(13(16)18-3)12(8-10)17-2/h6-9,14-15H,1-5H3.
What are the key properties of methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate?
methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate has a molecular weight of 283.32 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,1-dimethoxypropan-2-ylamino)-2-methoxybenzoate is sourced from PubChem (CID 20765748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).