ethyl N-[2-(diethylaminomethyl)phenyl]carbamate

C14H22N2O2 — CID 61215408

IUPACethyl N-[2-(diethylaminomethyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1CN(CC)CC
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)11-12-9-7-8-10-13(12)15-14(17)18-6-3/h7-10H,4-6,11H2,1-3H3,(H,15,17)
InChIKeyXQMDERBXCVQSAA-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.10
Rot. Bonds6

About ethyl N-[2-(diethylaminomethyl)phenyl]carbamate

ethyl N-[2-(diethylaminomethyl)phenyl]carbamate (PubChem CID 61215408) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethyl N-[2-(diethylaminomethyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(diethylaminomethyl)phenyl]carbamate
PubChem CID61215408
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethyl N-[2-(diethylaminomethyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1CN(CC)CC
InChIInChI=1S/C14H22N2O2/c1-4-16(5-2)11-12-9-7-8-10-13(12)15-14(17)18-6-3/h7-10H,4-6,11H2,1-3H3,(H,15,17)
InChIKeyXQMDERBXCVQSAA-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride
CID 20975759
N-[2-(diethylaminomethyl)phenyl]-2-methoxypropanamide
CID 112685894
N-[2-(diethylaminomethyl)phenyl]-2-methoxyacetamide
CID 60794575
2-amino-N-[2-(diethylaminomethyl)phenyl]-3-methylpentanamide
CID 43712488
3-[2-(diethylaminomethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898009
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 67513883
2-bromo-N-[2-(diethylaminomethyl)phenyl]-3-methylbutanamide
CID 43701125
2-(diethylaminomethyl)-N-methylaniline
CID 23009383
2-[2-(diethylaminomethyl)anilino]-N-(2-iodophenyl)acetamide
CID 55898056
ethyl N-(2-anilinophenyl)carbamate
CID 12930175
1-(diethylaminomethyl)-2-(sulfamoylamino)benzene
CID 112573513
ethyl N-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]carbamate
CID 123146032

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(diethylaminomethyl)phenyl]carbamate?
The IUPAC name of ethyl N-[2-(diethylaminomethyl)phenyl]carbamate (CID 61215408) is ethyl N-[2-(diethylaminomethyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-(diethylaminomethyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[2-(diethylaminomethyl)phenyl]carbamate is CCOC(=O)Nc1ccccc1CN(CC)CC.
What is the InChIKey of ethyl N-[2-(diethylaminomethyl)phenyl]carbamate?
The InChIKey is XQMDERBXCVQSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(5-2)11-12-9-7-8-10-13(12)15-14(17)18-6-3/h7-10H,4-6,11H2,1-3H3,(H,15,17).
What are the key properties of ethyl N-[2-(diethylaminomethyl)phenyl]carbamate?
ethyl N-[2-(diethylaminomethyl)phenyl]carbamate has a molecular weight of 250.34 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(diethylaminomethyl)phenyl]carbamate is sourced from PubChem (CID 61215408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).