N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide

C15H18N2O3 — CID 103800511

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide
SMILESCC1(C)OCC(CNC(=O)c2cccc3cc[nH]c23)O1
InChIInChI=1S/C15H18N2O3/c1-15(2)19-9-11(20-15)8-17-14(18)12-5-3-4-10-6-7-16-13(10)12/h3-7,11,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyDSIZTLDWANZGOT-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.05
Rot. Bonds3

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide (PubChem CID 103800511) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide
PubChem CID103800511
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide
SMILESCC1(C)OCC(CNC(=O)c2cccc3cc[nH]c23)O1
InChIInChI=1S/C15H18N2O3/c1-15(2)19-9-11(20-15)8-17-14(18)12-5-3-4-10-6-7-16-13(10)12/h3-7,11,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyDSIZTLDWANZGOT-UHFFFAOYSA-N
XLogP2.05
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-iodobenzamide
CID 103762608
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(methylamino)benzamide
CID 107390214
N-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole-7-carboxamide
CID 103707474
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-6-methylpyridine-2-carboxamide
CID 103762618
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methoxybenzamide
CID 113257087
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylbenzamide
CID 113264578
6-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyridine-2-carboxamide
CID 113351467
5-chloro-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103842932
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 113264583
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]quinoline-2-carboxamide
CID 103762543
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 103762598
5-bromo-N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-methylbenzamide
CID 103800461

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide (CID 103800511) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide is CC1(C)OCC(CNC(=O)c2cccc3cc[nH]c23)O1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide?
The InChIKey is DSIZTLDWANZGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-15(2)19-9-11(20-15)8-17-14(18)12-5-3-4-10-6-7-16-13(10)12/h3-7,11,16H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 103800511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).