methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate

C15H20N2O3 — CID 108914499

IUPACmethyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate
SMILESCC/C(C)=C/NC(=O)NCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H20N2O3/c1-4-11(2)9-16-15(19)17-10-12-5-7-13(8-6-12)14(18)20-3/h5-9H,4,10H2,1-3H3,(H2,16,17,19)/b11-9+
InChIKeyRZVIRUWMPRWADY-PKNBQFBNSA-N
MW276.34 g/mol
LogP2.59
Rot. Bonds5

About methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate

methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate (PubChem CID 108914499) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate
PubChem CID108914499
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate
SMILESCC/C(C)=C/NC(=O)NCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H20N2O3/c1-4-11(2)9-16-15(19)17-10-12-5-7-13(8-6-12)14(18)20-3/h5-9H,4,10H2,1-3H3,(H2,16,17,19)/b11-9+
InChIKeyRZVIRUWMPRWADY-PKNBQFBNSA-N
XLogP2.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[[(E)-but-1-enyl]carbamoylamino]methyl]benzoate
CID 108910824
methyl 4-[(3-oxobutylcarbamoylamino)methyl]benzoate
CID 108895262
methyl 4-[[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 34673655
4-[(2-methylprop-1-enylcarbamoylamino)methyl]benzoic acid
CID 108909915
methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
CID 163207822
methyl 4-[[(1-aminocyclopropanecarbonyl)amino]methyl]benzoate
CID 65466652
methyl 4-[(4-methylphenyl)methylcarbamoylamino]benzoate
CID 108899109
(E)-4-[(4-methoxycarbonylphenyl)methylamino]-4-oxobut-2-enoic acid
CID 716975
methyl 4-[[(4-methoxyphenyl)carbamoylamino]methyl]benzoate
CID 34667949
methyl 4-[[[(E)-2-(2-bromophenyl)ethenyl]carbamoylamino]methyl]benzoate
CID 108905256
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
4-[(4-methoxycarbonylphenyl)methylamino]-4-oxobut-2-enoate
CID 4280353

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate (CID 108914499) is methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate is CC/C(C)=C/NC(=O)NCc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate?
The InChIKey is RZVIRUWMPRWADY-PKNBQFBNSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-11(2)9-16-15(19)17-10-12-5-7-13(8-6-12)14(18)20-3/h5-9H,4,10H2,1-3H3,(H2,16,17,19)/b11-9+.
What are the key properties of methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate?
methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate has a molecular weight of 276.34 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[(E)-2-methylbut-1-enyl]carbamoylamino]methyl]benzoate is sourced from PubChem (CID 108914499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).