ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate

C13H18N2O3 — CID 47406124

IUPACethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H18N2O3/c1-4-18-12(16)9-15(3)13(17)14-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3,(H,14,17)
InChIKeyLDYIYMUBPPTXMF-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.02
Rot. Bonds4

About ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate

ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate (PubChem CID 47406124) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate
PubChem CID47406124
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CN(C)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C13H18N2O3/c1-4-18-12(16)9-15(3)13(17)14-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3,(H,14,17)
InChIKeyLDYIYMUBPPTXMF-UHFFFAOYSA-N
XLogP2.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-hydroxyiminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 76929111
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
ethyl 2-[(4-fluorophenyl)carbamoyl-methylamino]acetate
CID 47981222
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130
1-[(4-ethylphenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 27868172
1-[[4-(aminomethyl)phenyl]methyl]-1-methyl-3-(3-methylphenyl)urea
CID 60921949
1-methyl-3-(3-methylphenyl)-1-(2-oxo-2-piperazin-1-ylethyl)urea
CID 43604055
1-(3-bromopropyl)-1-methyl-3-(3-methylphenyl)urea
CID 106441564
1-[(2-aminophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 43458533
1-[(4-bromophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 31770987
ethyl 2-[methyl-[2-(3-methylphenoxy)acetyl]amino]acetate
CID 54785206

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate (CID 47406124) is ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate is CCOC(=O)CN(C)C(=O)Nc1cccc(C)c1.
What is the InChIKey of ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate?
The InChIKey is LDYIYMUBPPTXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-18-12(16)9-15(3)13(17)14-11-7-5-6-10(2)8-11/h5-8H,4,9H2,1-3H3,(H,14,17).
What are the key properties of ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate?
ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate has a molecular weight of 250.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[(3-methylphenyl)carbamoyl]amino]acetate is sourced from PubChem (CID 47406124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).