N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

C17H24N2O3 — CID 24551070

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C1=COCCO1
InChIInChI=1S/C17H24N2O3/c1-3-19(4-2)12-15-8-6-5-7-14(15)11-18-17(20)16-13-21-9-10-22-16/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyNCEVBJRWAIYAOJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.03
Rot. Bonds7

About N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (PubChem CID 24551070) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
PubChem CID24551070
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)C1=COCCO1
InChIInChI=1S/C17H24N2O3/c1-3-19(4-2)12-15-8-6-5-7-14(15)11-18-17(20)16-13-21-9-10-22-16/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyNCEVBJRWAIYAOJ-UHFFFAOYSA-N
XLogP2.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 60674556
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 13088123
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-nitrobenzamide
CID 41439050
4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 17460581
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylbenzamide
CID 41439169
N-[[2-(diethylaminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 134022174
2-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]propanamide
CID 43346662
1-amino-N-[[2-(diethylaminomethyl)phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119836037
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylsulfonylbenzamide
CID 31311834
3-[[2-(diethylaminomethyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 114897128
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 56559617
2-tert-butylsulfanyl-N-[[2-(diethylaminomethyl)phenyl]methyl]acetamide
CID 134022151

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide (CID 24551070) is N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is CCN(CC)Cc1ccccc1CNC(=O)C1=COCCO1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
The InChIKey is NCEVBJRWAIYAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-19(4-2)12-15-8-6-5-7-14(15)11-18-17(20)16-13-21-9-10-22-16/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide is sourced from PubChem (CID 24551070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).