methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate

C18H20N2O3 — CID 54326665

IUPACmethyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-20(2)12-13-5-4-6-16(11-13)19-17(21)14-7-9-15(10-8-14)18(22)23-3/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeySVKZDYBYMLZJII-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.79
Rot. Bonds5

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

methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate (PubChem CID 54326665) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
PubChem CID54326665
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1
InChIInChI=1S/C18H20N2O3/c1-20(2)12-13-5-4-6-16(11-13)19-17(21)14-7-9-15(10-8-14)18(22)23-3/h4-11H,12H2,1-3H3,(H,19,21)
InChIKeySVKZDYBYMLZJII-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
methyl 4-[(3-ethylphenyl)carbamoyl]benzoate
CID 7935129
4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 86931986
3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 86931987
3-[(4-methoxycarbonylbenzoyl)amino]benzoic acid
CID 45425987
methyl 4-[(3-fluorophenyl)carbamoyl]benzoate
CID 9412634
methyl 3-[[4-[2-(dimethylamino)ethylcarbamoyl]benzoyl]amino]benzoate
CID 109045824
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986
3-bromo-N-[3-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 104852189
N-[3-[(dimethylamino)methyl]phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860097
N-[3-[(dimethylamino)methyl]phenyl]-2-methoxy-2-methylpropanamide
CID 113233308

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate (CID 54326665) is methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cccc(CN(C)C)c2)cc1.
What is the InChIKey of methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate?
The InChIKey is SVKZDYBYMLZJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-20(2)12-13-5-4-6-16(11-13)19-17(21)14-7-9-15(10-8-14)18(22)23-3/h4-11H,12H2,1-3H3,(H,19,21).
What are the key properties of methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate?
methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate has a molecular weight of 312.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 54326665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).