methyl N-[4-(diethylamino)-2-methylphenyl]carbamate

C13H20N2O2 — CID 113098982

IUPACmethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCN(CC)c1ccc(NC(=O)OC)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-5-15(6-2)11-7-8-12(10(3)9-11)14-13(16)17-4/h7-9H,5-6H2,1-4H3,(H,14,16)
InChIKeyPDAXWVUMFTTWET-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.02
Rot. Bonds4

About methyl N-[4-(diethylamino)-2-methylphenyl]carbamate

methyl N-[4-(diethylamino)-2-methylphenyl]carbamate (PubChem CID 113098982) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl N-[4-(diethylamino)-2-methylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
PubChem CID113098982
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
SMILESCCN(CC)c1ccc(NC(=O)OC)c(C)c1
InChIInChI=1S/C13H20N2O2/c1-5-15(6-2)11-7-8-12(10(3)9-11)14-13(16)17-4/h7-9H,5-6H2,1-4H3,(H,14,16)
InChIKeyPDAXWVUMFTTWET-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001689
N-[4-(diethylamino)-2-methylphenyl]butanamide
CID 837078
tert-butyl N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]carbamate
CID 113001690
1-(4-methoxyphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 22889588
methyl 2-[[4-(diethylamino)-2-methylphenyl]carbamoyl]benzoate
CID 108785560
N-[4-(diethylamino)-2-methylphenyl]-N',N'-diethylpropanediamide
CID 108951161
N'-(2-amino-5-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108532401
1-(4-butan-2-ylphenyl)ethyl N-[4-(diethylamino)-2-methylphenyl]carbamate
CID 23514727
1-[4-(diethylamino)-2-methylphenyl]-3-phenylurea
CID 46859691
N'-[4-(diethylamino)-2-methylphenyl]-N-(3,4-dimethylphenyl)oxamide
CID 108523171
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)-2-methylphenyl]propanediamide
CID 108955230
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The IUPAC name of methyl N-[4-(diethylamino)-2-methylphenyl]carbamate (CID 113098982) is methyl N-[4-(diethylamino)-2-methylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The canonical SMILES for methyl N-[4-(diethylamino)-2-methylphenyl]carbamate is CCN(CC)c1ccc(NC(=O)OC)c(C)c1.
What is the InChIKey of methyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
The InChIKey is PDAXWVUMFTTWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-5-15(6-2)11-7-8-12(10(3)9-11)14-13(16)17-4/h7-9H,5-6H2,1-4H3,(H,14,16).
What are the key properties of methyl N-[4-(diethylamino)-2-methylphenyl]carbamate?
methyl N-[4-(diethylamino)-2-methylphenyl]carbamate has a molecular weight of 236.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(diethylamino)-2-methylphenyl]carbamate is sourced from PubChem (CID 113098982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).