methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate

C19H21NO3 — CID 129361915

IUPACmethyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate
SMILESCOC(=O)c1ccccc1/N=C/[C@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C19H21NO3/c1-14(12-15-8-10-16(22-2)11-9-15)13-20-18-7-5-4-6-17(18)19(21)23-3/h4-11,13-14H,12H2,1-3H3/b20-13+/t14-/m1/s1
InChIKeyDCVGBQPSFNIPPI-GNUZOCDUSA-N
MW311.38 g/mol
LogP4.06
Rot. Bonds6

About methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate

methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate (PubChem CID 129361915) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate
PubChem CID129361915
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namemethyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate
SMILESCOC(=O)c1ccccc1/N=C/[C@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C19H21NO3/c1-14(12-15-8-10-16(22-2)11-9-15)13-20-18-7-5-4-6-17(18)19(21)23-3/h4-11,13-14H,12H2,1-3H3/b20-13+/t14-/m1/s1
InChIKeyDCVGBQPSFNIPPI-GNUZOCDUSA-N
XLogP4.06
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate 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-[[3-(4-methoxyphenyl)-3-oxopropylidene]amino]benzoate
CID 4062869
methyl 2-[2-(4-methoxyphenyl)acetyl]benzoate
CID 14946047
methyl 2-[3-(4-propan-2-ylphenyl)butylideneamino]benzoate
CID 133112742
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
methyl 2-[[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]carbamoylamino]benzoate
CID 92865236
ethyl 2-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]benzoate
CID 139608521
methyl 4-[1-(4-methoxyphenyl)propan-2-yloxy]benzoate
CID 86053961
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
CID 10889521
methyl 4-(2-methyl-3-oxopropyl)benzoate
CID 71336358
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate
CID 134964677

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate?
The IUPAC name of methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate (CID 129361915) is methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate.
What is the SMILES notation for methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate?
The canonical SMILES for methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate is COC(=O)c1ccccc1/N=C/[C@H](C)Cc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate?
The InChIKey is DCVGBQPSFNIPPI-GNUZOCDUSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(12-15-8-10-16(22-2)11-9-15)13-20-18-7-5-4-6-17(18)19(21)23-3/h4-11,13-14H,12H2,1-3H3/b20-13+/t14-/m1/s1.
What are the key properties of methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate?
methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate has a molecular weight of 311.38 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-3-(4-methoxyphenyl)-2-methylpropylidene]amino]benzoate is sourced from PubChem (CID 129361915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).