phenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate

C14H20N2O3 — CID 60669073

IUPACphenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
SMILESCCN(CC)C(=O)CN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-4-16(5-2)13(17)11-15(3)14(18)19-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyBHFHWNPTPAPRFY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.99
Rot. Bonds5

About phenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate

phenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate (PubChem CID 60669073) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is phenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate.

Molecular Properties

Compound Namephenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
PubChem CID60669073
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namephenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate
SMILESCCN(CC)C(=O)CN(C)C(=O)Oc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-4-16(5-2)13(17)11-15(3)14(18)19-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3
InChIKeyBHFHWNPTPAPRFY-UHFFFAOYSA-N
XLogP1.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate?
The IUPAC name of phenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate (CID 60669073) is phenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate.
What is the SMILES notation for phenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate?
The canonical SMILES for phenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate is CCN(CC)C(=O)CN(C)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate?
The InChIKey is BHFHWNPTPAPRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-16(5-2)13(17)11-15(3)14(18)19-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3.
What are the key properties of phenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate?
phenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate has a molecular weight of 264.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-(diethylamino)-2-oxoethyl]-N-methylcarbamate is sourced from PubChem (CID 60669073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).