N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide

C14H17N3O2 — CID 60959512

IUPACN-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide
SMILESCCNC(=O)CN(C)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H17N3O2/c1-3-15-13(18)9-17(2)14(19)11-5-4-6-12-10(11)7-8-16-12/h4-8,16H,3,9H2,1-2H3,(H,15,18)
InChIKeyOEKZMVIJEKCVNR-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.38
Rot. Bonds4

About N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide

N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide (PubChem CID 60959512) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide
PubChem CID60959512
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide
SMILESCCNC(=O)CN(C)C(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H17N3O2/c1-3-15-13(18)9-17(2)14(19)11-5-4-6-12-10(11)7-8-16-12/h4-8,16H,3,9H2,1-2H3,(H,15,18)
InChIKeyOEKZMVIJEKCVNR-UHFFFAOYSA-N
XLogP1.38
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-1H-indole-4-carboxamide
CID 105420080
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 64512455
N-methoxy-N-propyl-1H-indole-4-carboxamide
CID 114277166
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1H-indole-4-carboxamide
CID 114951440
2,3-dihydroxy-N-(1H-indol-4-ylmethyl)-N-methylbenzamide
CID 122149826
1H-indole-4-carbohydrazide
CID 43316644
3-[tert-butyl(1H-indole-4-carbonyl)amino]propanoic acid
CID 60826642
3-[1H-indole-4-carbonyl(propan-2-yl)amino]propanoic acid
CID 60832436
3-[ethyl(1H-indole-4-carbonyl)amino]butanoic acid
CID 62827427
N,N-bis(cyanomethyl)-1H-indole-4-carboxamide
CID 43582545
N-(2-aminobutyl)-1H-indole-4-carboxamide
CID 63733452
4-(dimethylamino)-3-(1H-indol-4-yl)-2-methylbut-2-enoic acid
CID 67631052

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide (CID 60959512) is N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide is CCNC(=O)CN(C)C(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide?
The InChIKey is OEKZMVIJEKCVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-15-13(18)9-17(2)14(19)11-5-4-6-12-10(11)7-8-16-12/h4-8,16H,3,9H2,1-2H3,(H,15,18).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide?
N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-N-methyl-1H-indole-4-carboxamide is sourced from PubChem (CID 60959512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).