methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate

C14H20N2O3 — CID 37215555

IUPACmethyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
SMILESCNC(=O)c1ccc(CN(C)CCC(=O)OC)cc1
InChIInChI=1S/C14H20N2O3/c1-15-14(18)12-6-4-11(5-7-12)10-16(2)9-8-13(17)19-3/h4-7H,8-10H2,1-3H3,(H,15,18)
InChIKeyPNFBXRBXTZHADR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.04
Rot. Bonds6

About methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate

methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate (PubChem CID 37215555) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
PubChem CID37215555
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate
SMILESCNC(=O)c1ccc(CN(C)CCC(=O)OC)cc1
InChIInChI=1S/C14H20N2O3/c1-15-14(18)12-6-4-11(5-7-12)10-16(2)9-8-13(17)19-3/h4-7H,8-10H2,1-3H3,(H,15,18)
InChIKeyPNFBXRBXTZHADR-UHFFFAOYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
CID 60648146
4-[[[3-(carbamoylamino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 42540850
4-[[[3-(2-methoxyanilino)-3-oxopropyl]-methylamino]methyl]-N-methylbenzamide
CID 37215281
N-methyl-4-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]benzamide
CID 42540672
4-[[[2-(dipropylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9125581
N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide
CID 120980533
methyl 4-[2,5-dimethyl-3-[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]pyrrol-1-yl]butanoate
CID 9124001
methyl 4-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]benzoate
CID 62013375
methyl 4-[(4-aminophenyl)methyl-methylamino]butanoate
CID 43458294
methyl 4-[(4-bromophenyl)methyl-methylamino]butanoate
CID 61415832
methyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]benzoate
CID 55025135

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate (CID 37215555) is methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate is CNC(=O)c1ccc(CN(C)CCC(=O)OC)cc1.
What is the InChIKey of methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate?
The InChIKey is PNFBXRBXTZHADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-15-14(18)12-6-4-11(5-7-12)10-16(2)9-8-13(17)19-3/h4-7H,8-10H2,1-3H3,(H,15,18).
What are the key properties of methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate?
methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate has a molecular weight of 264.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]propanoate is sourced from PubChem (CID 37215555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).