3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide

C18H21N3O4 — CID 166467227

IUPAC3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide
SMILESCc1oc(=O)oc1CNC(=O)n1cc(CCN(C)C)c2ccccc21
InChIInChI=1S/C18H21N3O4/c1-12-16(25-18(23)24-12)10-19-17(22)21-11-13(8-9-20(2)3)14-6-4-5-7-15(14)21/h4-7,11H,8-10H2,1-3H3,(H,19,22)
InChIKeyDTMBICQQOAWRDV-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.36
Rot. Bonds5

About 3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide

3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide (PubChem CID 166467227) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide
PubChem CID166467227
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide
SMILESCc1oc(=O)oc1CNC(=O)n1cc(CCN(C)C)c2ccccc21
InChIInChI=1S/C18H21N3O4/c1-12-16(25-18(23)24-12)10-19-17(22)21-11-13(8-9-20(2)3)14-6-4-5-7-15(14)21/h4-7,11H,8-10H2,1-3H3,(H,19,22)
InChIKeyDTMBICQQOAWRDV-UHFFFAOYSA-N
XLogP2.36
TPSA80.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide with MolForge

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Related Compounds

3-[2-[butyl(2-cycloheptylethyl)amino]ethyl]-N,N-dimethylindole-1-carboxamide
CID 168271959
Tert-butyl 3-[(phenylcarbamothioylamino)methyl]indole-1-carboxylate
CID 24204278
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-N-phenylindole-1-carboxamide
CID 44388954
5-fluoro-N-phenyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole-1-carboxamide
CID 118712404
2-(((1-(1H-indol-3-yl)propan-2-yl)carbamoyl)oxy)-N,N,N-trimethylethanaminium iodide
CID 16192741
8-[2-(3-Indolyl)ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016615
Urea, N-(2,6-bis(1-methylethyl)phenyl)-N'-((1-(1-methyl-1H-indol-3-yl)cyclopentyl)methyl)-
CID 3072884
Tert-butyl 4-(1H-indol-3-YL)-5,6-dihydropyridine-1(2H)-carboxylate
CID 16227686
N,N-Diethyl-1H-indole-1-carboxamide
CID 11160248
N-[2-(1H-indol-3-yl)ethyl]-N'-(2-methylphenyl)urea
CID 2238398
3-Cyclohexyl-3-[(1-methyl-1H-indol-3-YL)methyl]-1-phenylurea
CID 15990992
Ethyl 3-[1-(benzylamino)but-3-enyl]indole-1-carboxylate
CID 16721048

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide (CID 166467227) is 3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide is Cc1oc(=O)oc1CNC(=O)n1cc(CCN(C)C)c2ccccc21.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide?
The InChIKey is DTMBICQQOAWRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-16(25-18(23)24-12)10-19-17(22)21-11-13(8-9-20(2)3)14-6-4-5-7-15(14)21/h4-7,11H,8-10H2,1-3H3,(H,19,22).
What are the key properties of 3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide?
3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-N-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]indole-1-carboxamide is sourced from PubChem (CID 166467227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).