N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide

C18H25N3O2 — CID 90606973

IUPACN-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide
SMILESCN(C)CCN(C(=O)c1cc2ccccc2[nH]1)C1CCOCC1
InChIInChI=1S/C18H25N3O2/c1-20(2)9-10-21(15-7-11-23-12-8-15)18(22)17-13-14-5-3-4-6-16(14)19-17/h3-6,13,15,19H,7-12H2,1-2H3
InChIKeyHXCQCPFNLPMXMZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide

N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide (PubChem CID 90606973) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide
PubChem CID90606973
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide
SMILESCN(C)CCN(C(=O)c1cc2ccccc2[nH]1)C1CCOCC1
InChIInChI=1S/C18H25N3O2/c1-20(2)9-10-21(15-7-11-23-12-8-15)18(22)17-13-14-5-3-4-6-16(14)19-17/h3-6,13,15,19H,7-12H2,1-2H3
InChIKeyHXCQCPFNLPMXMZ-UHFFFAOYSA-N
XLogP2.35
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 43611577
N-methyl-N-(oxan-4-ylmethyl)-1H-indole-2-carboxamide
CID 63707249
N-[3-(dimethylamino)propyl]-N-(1,1-dioxothiolan-3-yl)-1H-indole-2-carboxamide
CID 78840941
2-[2-(dimethylamino)ethyl-(1H-indole-2-carbonyl)amino]acetic acid
CID 107424007
N-[2-(dimethylamino)ethyl]-2-indol-1-yl-N-(oxan-4-yl)acetamide
CID 90606965
N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 43421002
N-[2-(dimethylamino)ethyl]-3,4-difluoro-N-(oxan-4-yl)benzamide
CID 90607041
N-[3-[benzyl(methyl)amino]cyclohexyl]-N-ethyl-1H-indole-2-carboxamide
CID 135171015
N-[(3R)-5-amino-3,4-dihydro-2H-pyran-3-yl]-N-ethyl-1H-indole-2-carboxamide
CID 135171326
N-(2-amino-2-oxoethyl)-N-ethyl-1H-indole-2-carboxamide
CID 103103798
2-[(4-fluoro-1H-indole-2-carbonyl)-(oxan-4-yl)amino]acetic acid
CID 119211215
N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide (CID 90606973) is N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide is CN(C)CCN(C(=O)c1cc2ccccc2[nH]1)C1CCOCC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide?
The InChIKey is HXCQCPFNLPMXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20(2)9-10-21(15-7-11-23-12-8-15)18(22)17-13-14-5-3-4-6-16(14)19-17/h3-6,13,15,19H,7-12H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 90606973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).