ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate

C17H24N2O5 — CID 10664593

IUPACethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1CC(=O)NC1COC(C)(C)OC1
InChIInChI=1S/C17H24N2O5/c1-4-22-16(21)19-14-8-6-5-7-12(14)9-15(20)18-13-10-23-17(2,3)24-11-13/h5-8,13H,4,9-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWJVKAUBPBBUBTI-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.07
Rot. Bonds5

About ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate

ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate (PubChem CID 10664593) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate
PubChem CID10664593
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Nameethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1CC(=O)NC1COC(C)(C)OC1
InChIInChI=1S/C17H24N2O5/c1-4-22-16(21)19-14-8-6-5-7-12(14)9-15(20)18-13-10-23-17(2,3)24-11-13/h5-8,13H,4,9-11H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyWJVKAUBPBBUBTI-UHFFFAOYSA-N
XLogP2.07
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate with MolForge

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Related Compounds

ethyl N-[2-(diethylaminomethyl)phenyl]carbamate
CID 61215408
N-[2-(ethoxymethyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 106658557
cis-(1R,3S)-3-[[2-[2-(cyclopropylamino)-2-oxoethyl]phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391265
ethyl N-[2-[2-(diethylamino)ethyl]phenyl]carbamate;hydrochloride
CID 20975759
ethyl 4-[3-(2-ethylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028834
4-amino-N-(2-ethylphenyl)-3-methyloxolane-3-carboxamide
CID 66250197
ethyl N-(2-anilinophenyl)carbamate
CID 12930175
ethyl N-(1,3-dioxan-5-yl)carbamate
CID 67075992
1-amino-3-ethoxy-N-(2-ethylphenyl)-2,2-dimethylcyclobutane-1-carboxamide
CID 114827880
1-(aminomethyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 80587108
prop-2-ynyl N-(2-ethylphenyl)carbamate
CID 91733300
ethyl N-[2-[(1Z)-buta-1,3-dienyl]phenyl]carbamate
CID 54598171

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate?
The IUPAC name of ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate (CID 10664593) is ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate is CCOC(=O)Nc1ccccc1CC(=O)NC1COC(C)(C)OC1.
What is the InChIKey of ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate?
The InChIKey is WJVKAUBPBBUBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-4-22-16(21)19-14-8-6-5-7-12(14)9-15(20)18-13-10-23-17(2,3)24-11-13/h5-8,13H,4,9-11H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate?
ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate has a molecular weight of 336.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[2-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 10664593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).