methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate

C12H16N2O3 — CID 78916676

IUPACmethyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate
SMILESCCN(C)C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C12H16N2O3/c1-4-14(2)12(16)13-10-7-5-6-9(8-10)11(15)17-3/h5-8H,4H2,1-3H3,(H,13,16)
InChIKeySRYAHVCKZHVNPA-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.96
Rot. Bonds3

About methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate

methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate (PubChem CID 78916676) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate
PubChem CID78916676
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate
SMILESCCN(C)C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C12H16N2O3/c1-4-14(2)12(16)13-10-7-5-6-9(8-10)11(15)17-3/h5-8H,4H2,1-3H3,(H,13,16)
InChIKeySRYAHVCKZHVNPA-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-methoxycarbonylphenyl)carbamoyl-methylamino]propanoic acid
CID 122076118
methyl 3-(dipropylcarbamoylamino)benzoate
CID 108990977
methyl 3-(2-ethylbutanoylamino)benzoate
CID 43404089
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-(carbamoylamino)benzoate
CID 2822841
methyl 4-[[ethyl(methyl)carbamoyl]amino]-2-fluorobenzoate
CID 71969096
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
methyl 3-[[3-[4-(dimethylamino)anilino]-3-oxopropanoyl]amino]benzoate
CID 108956329
2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetic acid
CID 61194487
methyl 3-[[(1,1-dioxothiolan-3-yl)-ethylcarbamoyl]amino]benzoate
CID 108989837

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate?
The IUPAC name of methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate (CID 78916676) is methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate is CCN(C)C(=O)Nc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate?
The InChIKey is SRYAHVCKZHVNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-4-14(2)12(16)13-10-7-5-6-9(8-10)11(15)17-3/h5-8H,4H2,1-3H3,(H,13,16).
What are the key properties of methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate?
methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate has a molecular weight of 236.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate is sourced from PubChem (CID 78916676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).