2-(methylamino)ethyl N-(3-methylphenyl)carbamate

C11H16N2O2 — CID 79338222

IUPAC2-(methylamino)ethyl N-(3-methylphenyl)carbamate
SMILESCNCCOC(=O)Nc1cccc(C)c1
InChIInChI=1S/C11H16N2O2/c1-9-4-3-5-10(8-9)13-11(14)15-7-6-12-2/h3-5,8,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyRWZYUZUGSPQFGK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.76
Rot. Bonds4

About 2-(methylamino)ethyl N-(3-methylphenyl)carbamate

2-(methylamino)ethyl N-(3-methylphenyl)carbamate (PubChem CID 79338222) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(methylamino)ethyl N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name2-(methylamino)ethyl N-(3-methylphenyl)carbamate
PubChem CID79338222
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-(methylamino)ethyl N-(3-methylphenyl)carbamate
SMILESCNCCOC(=O)Nc1cccc(C)c1
InChIInChI=1S/C11H16N2O2/c1-9-4-3-5-10(8-9)13-11(14)15-7-6-12-2/h3-5,8,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyRWZYUZUGSPQFGK-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945
2-(methylamino)ethyl N-(3-fluorophenyl)carbamate
CID 79338015
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441
2-[(3-methylphenyl)carbamoyloxy]ethyl 2-methylprop-2-enoate
CID 164980144
(2-amino-2-ethylbutyl) N-(3-methylphenyl)carbamate
CID 79338375
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
propyl N-(3-bromophenyl)carbamate
CID 19165876
ethyl N-[(3-methylphenyl)carbamoyl]carbamate
CID 59576587
N-(3-methylphenyl)acetamide
CID 10843
2-methoxyethyl N-[3-[3-(3-methylphenyl)prop-2-enoylamino]phenyl]carbamate
CID 76870567
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethyl N-(3-methylphenyl)carbamate?
The IUPAC name of 2-(methylamino)ethyl N-(3-methylphenyl)carbamate (CID 79338222) is 2-(methylamino)ethyl N-(3-methylphenyl)carbamate.
What is the SMILES notation for 2-(methylamino)ethyl N-(3-methylphenyl)carbamate?
The canonical SMILES for 2-(methylamino)ethyl N-(3-methylphenyl)carbamate is CNCCOC(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-(methylamino)ethyl N-(3-methylphenyl)carbamate?
The InChIKey is RWZYUZUGSPQFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9-4-3-5-10(8-9)13-11(14)15-7-6-12-2/h3-5,8,12H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(methylamino)ethyl N-(3-methylphenyl)carbamate?
2-(methylamino)ethyl N-(3-methylphenyl)carbamate has a molecular weight of 208.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethyl N-(3-methylphenyl)carbamate is sourced from PubChem (CID 79338222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).