N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide

C18H20N2O3 — CID 11638189

IUPACN-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide
SMILESCc1cccc2c1Oc1c(cccc1C(=O)NCCN(C)C)O2
InChIInChI=1S/C18H20N2O3/c1-12-6-4-8-14-16(12)23-17-13(7-5-9-15(17)22-14)18(21)19-10-11-20(2)3/h4-9H,10-11H2,1-3H3,(H,19,21)
InChIKeyKQZQEWSBSGHKFH-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.18
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide

N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide (PubChem CID 11638189) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide
PubChem CID11638189
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide
SMILESCc1cccc2c1Oc1c(cccc1C(=O)NCCN(C)C)O2
InChIInChI=1S/C18H20N2O3/c1-12-6-4-8-14-16(12)23-17-13(7-5-9-15(17)22-14)18(21)19-10-11-20(2)3/h4-9H,10-11H2,1-3H3,(H,19,21)
InChIKeyKQZQEWSBSGHKFH-UHFFFAOYSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-dichloro-N-[2-(dimethylamino)ethyl]dibenzo-p-dioxin-1-carboxamide
CID 11574180
N-[2-(dimethylamino)ethyl]-2-(2-methylanilino)benzamide
CID 163646514
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
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N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
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CID 172646860
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
N-[(dimethylamino)methyl]-2-methylbenzamide
CID 67624413
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311
N-[2-(dimethylamino)ethyl]-2,3,6-trimethylbenzamide
CID 171383887
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-[2-(dimethylamino)ethyl]-2-nitrobenzamide
CID 15287848

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide (CID 11638189) is N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide is Cc1cccc2c1Oc1c(cccc1C(=O)NCCN(C)C)O2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide?
The InChIKey is KQZQEWSBSGHKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-6-4-8-14-16(12)23-17-13(7-5-9-15(17)22-14)18(21)19-10-11-20(2)3/h4-9H,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide?
N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-9-methyldibenzo-p-dioxin-1-carboxamide is sourced from PubChem (CID 11638189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).