N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide

C18H25N3O2 — CID 39949321

IUPACN-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cccc2c(C)c(C)[nH]c12
InChIInChI=1S/C18H25N3O2/c1-6-21(7-2)16(22)11-20(5)18(23)15-10-8-9-14-12(3)13(4)19-17(14)15/h8-10,19H,6-7,11H2,1-5H3
InChIKeyROOPAOJLVLHBKQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.73
Rot. Bonds5

About N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide

N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide (PubChem CID 39949321) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide
PubChem CID39949321
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1cccc2c(C)c(C)[nH]c12
InChIInChI=1S/C18H25N3O2/c1-6-21(7-2)16(22)11-20(5)18(23)15-10-8-9-14-12(3)13(4)19-17(14)15/h8-10,19H,6-7,11H2,1-5H3
InChIKeyROOPAOJLVLHBKQ-UHFFFAOYSA-N
XLogP2.73
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]benzoic acid
CID 60662164
N,2,3-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-7-carboxamide
CID 86853868
N,2,3-trimethyl-N-[(3-pyrazol-1-ylphenyl)methyl]-1H-indole-7-carboxamide
CID 70786181
2,3-dimethyl-1H-indole-7-carboxylate
CID 6950947
N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 60668984
5-bromo-N-[2-(diethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 65309366
2-(4-bromobenzoyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylbenzamide
CID 36943976
N-(3-hydroxy-3-phenylpropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 111471562
N,N-diethyl-2,7-dimethyl-1H-indole-3-carboxamide
CID 110855138
N-(3-butoxypropyl)-2,3-dimethyl-1H-indole-7-carboxamide
CID 30853286
N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide
CID 72931796
N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39947866

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide (CID 39949321) is N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide is CCN(CC)C(=O)CN(C)C(=O)c1cccc2c(C)c(C)[nH]c12.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide?
The InChIKey is ROOPAOJLVLHBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-6-21(7-2)16(22)11-20(5)18(23)15-10-8-9-14-12(3)13(4)19-17(14)15/h8-10,19H,6-7,11H2,1-5H3.
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide?
N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-N,2,3-trimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 39949321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).