methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate

C15H21N3O4 — CID 9221932

IUPACmethyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C15H21N3O4/c1-10-6-5-7-11(2)14(10)16-12(19)8-18(3)9-13(20)17-15(21)22-4/h5-7H,8-9H2,1-4H3,(H,16,19)(H,17,20,21)
InChIKeyIOZAWDYPVTTZCG-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.06
Rot. Bonds5

About methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate

methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate (PubChem CID 9221932) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
PubChem CID9221932
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Namemethyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
SMILESCOC(=O)NC(=O)CN(C)CC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C15H21N3O4/c1-10-6-5-7-11(2)14(10)16-12(19)8-18(3)9-13(20)17-15(21)22-4/h5-7H,8-9H2,1-4H3,(H,16,19)(H,17,20,21)
InChIKeyIOZAWDYPVTTZCG-UHFFFAOYSA-N
XLogP1.06
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 17462930
N-(2,6-dimethylphenyl)-2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-methylamino]acetamide
CID 9221772
N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 40811799
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 9221931
N-(2,6-dimethylphenyl)-2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetamide
CID 27243525
N-(2,6-dimethylphenyl)-2-[methyl(methylsulfonylsulfanylmethyl)amino]acetamide
CID 22174350
methyl N-[2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9252610
N-(2,6-dimethylphenyl)-2-[[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
CID 9221914
methyl 3-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]thiophene-2-carboxylate
CID 38344560
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 9222192
2-[[2-(2-amino-6-methylanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43376076

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The IUPAC name of methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate (CID 9221932) is methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate.
What is the SMILES notation for methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The canonical SMILES for methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate is COC(=O)NC(=O)CN(C)CC(=O)Nc1c(C)cccc1C.
What is the InChIKey of methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate?
The InChIKey is IOZAWDYPVTTZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-10-6-5-7-11(2)14(10)16-12(19)8-18(3)9-13(20)17-15(21)22-4/h5-7H,8-9H2,1-4H3,(H,16,19)(H,17,20,21).
What are the key properties of methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate?
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate has a molecular weight of 307.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate is sourced from PubChem (CID 9221932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).