2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate

C12H17N3O3 — CID 83215678

IUPAC2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate
SMILESCNc1ccc(C)cc1C(=O)NCCOC(N)=O
InChIInChI=1S/C12H17N3O3/c1-8-3-4-10(14-2)9(7-8)11(16)15-5-6-18-12(13)17/h3-4,7,14H,5-6H2,1-2H3,(H2,13,17)(H,15,16)
InChIKeyFXPPHNIPARKBQL-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.86
Rot. Bonds5

About 2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate

2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate (PubChem CID 83215678) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate
PubChem CID83215678
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate
SMILESCNc1ccc(C)cc1C(=O)NCCOC(N)=O
InChIInChI=1S/C12H17N3O3/c1-8-3-4-10(14-2)9(7-8)11(16)15-5-6-18-12(13)17/h3-4,7,14H,5-6H2,1-2H3,(H2,13,17)(H,15,16)
InChIKeyFXPPHNIPARKBQL-UHFFFAOYSA-N
XLogP0.86
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
CID 83210328
2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate
CID 83214863
5-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 55083223
5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 62511070
5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 106432898
4-methyl-2-(methylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 104765563
5-methyl-2-(methylamino)-N-[(2-methylphenyl)methyl]benzamide
CID 62509176
N-(2-ethoxy-2-methylpropyl)-5-methyl-2-(methylamino)benzamide
CID 114944072
tert-butyl N-[2-(2-methoxyethylcarbamoyl)-4-methylphenyl]carbamate
CID 90291485
2-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide
CID 62848709
N-(2-hydroxyethyl)-4-methyl-2-(methylamino)benzamide
CID 146655569
2-[(2-fluoro-3-methylbenzoyl)amino]ethyl carbamate
CID 83210686

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate?
The IUPAC name of 2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate (CID 83215678) is 2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate is CNc1ccc(C)cc1C(=O)NCCOC(N)=O.
What is the InChIKey of 2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate?
The InChIKey is FXPPHNIPARKBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-3-4-10(14-2)9(7-8)11(16)15-5-6-18-12(13)17/h3-4,7,14H,5-6H2,1-2H3,(H2,13,17)(H,15,16).
What are the key properties of 2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate?
2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate has a molecular weight of 251.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate is sourced from PubChem (CID 83215678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).