ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate

C13H18N2O3 — CID 112992182

IUPACethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)NCc1cccc(C)c1
InChIInChI=1S/C13H18N2O3/c1-3-18-13(17)15-9-12(16)14-8-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIWTCTYZZDHZOOZ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.36
Rot. Bonds5

About ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate

ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate (PubChem CID 112992182) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate
PubChem CID112992182
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nameethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)NCc1cccc(C)c1
InChIInChI=1S/C13H18N2O3/c1-3-18-13(17)15-9-12(16)14-8-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyIWTCTYZZDHZOOZ-UHFFFAOYSA-N
XLogP1.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
2-(carbamoylamino)-N-[[3-(3-methylphenyl)phenyl]methyl]acetamide
CID 71880205
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
2-(3-methylphenyl)-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]acetamide
CID 112992263
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
N-[(3-methylphenyl)methyl]-2-(propylsulfonylamino)acetamide
CID 112992190
(3-methylphenyl)methylurea
CID 60776531
methyl 4-[[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 108996975
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 142192151

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate (CID 112992182) is ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate is CCOC(=O)NCC(=O)NCc1cccc(C)c1.
What is the InChIKey of ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate?
The InChIKey is IWTCTYZZDHZOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-18-13(17)15-9-12(16)14-8-11-6-4-5-10(2)7-11/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate?
ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate has a molecular weight of 250.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 112992182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).