methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate

C20H25N3O4 — CID 99795846

IUPACmethyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate
SMILESCOCc1cccc(CNC(=O)Nc2ccc(C(=O)OC)cc2N(C)C)c1
InChIInChI=1S/C20H25N3O4/c1-23(2)18-11-16(19(24)27-4)8-9-17(18)22-20(25)21-12-14-6-5-7-15(10-14)13-26-3/h5-11H,12-13H2,1-4H3,(H2,21,22,25)
InChIKeyJLAMPXPONHCMMU-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.01
Rot. Bonds7

About methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate

methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate (PubChem CID 99795846) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate
PubChem CID99795846
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Namemethyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate
SMILESCOCc1cccc(CNC(=O)Nc2ccc(C(=O)OC)cc2N(C)C)c1
InChIInChI=1S/C20H25N3O4/c1-23(2)18-11-16(19(24)27-4)8-9-17(18)22-20(25)21-12-14-6-5-7-15(10-14)13-26-3/h5-11H,12-13H2,1-4H3,(H2,21,22,25)
InChIKeyJLAMPXPONHCMMU-UHFFFAOYSA-N
XLogP3.01
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(dimethylamino)-4-(3-methylbutylcarbamoylamino)benzoate
CID 99795845
1-[5-(dimethylamino)-2-pyridinyl]-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 99840101
3-[3-[[2-(dimethylamino)-4-methoxycarbonylphenyl]carbamoylamino]phenyl]propanoic acid
CID 122091291
1-benzyl-3-[2-(dimethylamino)phenyl]urea
CID 47202175
methyl 3-[[4-(dimethylamino)phenyl]methylcarbamoylamino]-4-fluorobenzoate
CID 86994013
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 3-(methoxymethyl)benzoate
CID 9064737
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 107904710
methyl 3-(acetamidomethyl)benzoate
CID 20717921
4-tert-butyl-N-[2-[[3-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 46479161
3-amino-N-[[3-(methoxymethyl)phenyl]methyl]propanamide
CID 61004060
(1R)-2,2-dichloro-N-[[3-(methoxymethyl)phenyl]methyl]-1-methylcyclopropane-1-carboxamide
CID 51727918
1-(2-hydroxy-3,3-dimethylbutyl)-3-[[3-(methoxymethyl)phenyl]methyl]urea
CID 111338038

Frequently Asked Questions

What is the IUPAC name of methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate?
The IUPAC name of methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate (CID 99795846) is methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate.
What is the SMILES notation for methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate?
The canonical SMILES for methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate is COCc1cccc(CNC(=O)Nc2ccc(C(=O)OC)cc2N(C)C)c1.
What is the InChIKey of methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate?
The InChIKey is JLAMPXPONHCMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-23(2)18-11-16(19(24)27-4)8-9-17(18)22-20(25)21-12-14-6-5-7-15(10-14)13-26-3/h5-11H,12-13H2,1-4H3,(H2,21,22,25).
What are the key properties of methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate?
methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate has a molecular weight of 371.44 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(dimethylamino)-4-[[3-(methoxymethyl)phenyl]methylcarbamoylamino]benzoate is sourced from PubChem (CID 99795846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).