[2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate

C19H30N2O3 — CID 141499862

IUPAC[2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(C(C)N(CC)CC)ccc1C(C)=O
InChIInChI=1S/C19H30N2O3/c1-7-20(8-2)14(5)16-11-12-17(15(6)22)18(13-16)24-19(23)21(9-3)10-4/h11-14H,7-10H2,1-6H3
InChIKeyUBZYEELQJAPZJK-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.13
Rot. Bonds8

About [2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate

[2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate (PubChem CID 141499862) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is [2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate.

Molecular Properties

Compound Name[2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate
PubChem CID141499862
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name[2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(C(C)N(CC)CC)ccc1C(C)=O
InChIInChI=1S/C19H30N2O3/c1-7-20(8-2)14(5)16-11-12-17(15(6)22)18(13-16)24-19(23)21(9-3)10-4/h11-14H,7-10H2,1-6H3
InChIKeyUBZYEELQJAPZJK-UHFFFAOYSA-N
XLogP4.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-acetyl-3-[ethyl(methyl)carbamoyl]oxyphenyl] N-ethyl-N-methylcarbamate
CID 163320558
[3-[1-(dimethylamino)ethyl]phenyl] N,N-diethylcarbamate;hydrochloride
CID 117069146
[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
CID 163320636
[2-methoxy-5-[1-(3-methoxy-4,5-dimethylphenyl)ethyl]phenyl] N,N-diethylcarbamate
CID 58329180
[2-acetyl-5-(1-morpholin-4-ylethyl)phenyl] N,N-dimethylcarbamate
CID 141499901
(2-acetyl-5-methoxycarbonyloxyphenyl) methyl carbonate
CID 15365306
(2,3-dihydroxyphenyl) N,N-diethylcarbamate
CID 131845695
5-[1-(diethylamino)ethyl]-2-methoxybenzaldehyde
CID 105496652
(2-acetyl-3-chlorophenyl) N,N-diethylcarbamate
CID 10945491
4-O-[4-acetyl-3-(4-methoxy-4-oxobutanoyl)oxyphenyl] 1-O-methyl butanedioate
CID 70480452
ethyl 2-(diethylcarbamoyloxy)-5-methylbenzoate
CID 122517620
[4-tert-butyl-2-(diethylcarbamoyl)phenyl] N,N-diethylcarbamate
CID 122517612

Frequently Asked Questions

What is the IUPAC name of [2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate?
The IUPAC name of [2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate (CID 141499862) is [2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate.
What is the SMILES notation for [2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate?
The canonical SMILES for [2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cc(C(C)N(CC)CC)ccc1C(C)=O.
What is the InChIKey of [2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate?
The InChIKey is UBZYEELQJAPZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-7-20(8-2)14(5)16-11-12-17(15(6)22)18(13-16)24-19(23)21(9-3)10-4/h11-14H,7-10H2,1-6H3.
What are the key properties of [2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate?
[2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate has a molecular weight of 334.46 g/mol, XLogP of 4.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyl-5-[1-(diethylamino)ethyl]phenyl] N,N-diethylcarbamate is sourced from PubChem (CID 141499862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).