2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate

C12H17N3O3 — CID 83214863

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

About 2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate

2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate (PubChem CID 83214863) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate
PubChem CID83214863
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate
SMILESCNc1ccc(C(=O)NCCOC(N)=O)cc1C
InChIInChI=1S/C12H17N3O3/c1-8-7-9(3-4-10(8)14-2)11(16)15-5-6-18-12(13)17/h3-4,7,14H,5-6H2,1-2H3,(H2,13,17)(H,15,16)
InChIKeyXUZWFGSTGZLDEC-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-[(3-bromo-4-methylbenzoyl)amino]ethyl carbamate
CID 83203375
2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate
CID 83215678
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-3-methyl-4-(methylamino)benzamide
CID 106280162
2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate
CID 75498506
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
N-(2-methoxyethyl)-3-methyl-4-(1,2,2-tricyanoethenylamino)benzamide
CID 168607620
2-[(3-bromobenzoyl)amino]ethyl carbamate
CID 83203374
3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114516650
N-[(4-fluorophenyl)methyl]-3-methyl-4-(methylamino)benzamide
CID 63210456
2-(1,2,3,4-tetrahydroquinoxaline-6-carbonylamino)ethyl carbamate
CID 104615254
3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322
3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80685923

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate?
The IUPAC name of 2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate (CID 83214863) is 2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate is CNc1ccc(C(=O)NCCOC(N)=O)cc1C.
What is the InChIKey of 2-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate?
The InChIKey is XUZWFGSTGZLDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-7-9(3-4-10(8)14-2)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-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate?
2-[[3-methyl-4-(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-[[3-methyl-4-(methylamino)benzoyl]amino]ethyl carbamate is sourced from PubChem (CID 83214863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).