5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide

C14H18N4O2 — CID 63117755

IUPAC5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H18N4O2/c1-3-18(8-13(19)16-2)14(20)12-7-9-6-10(15)4-5-11(9)17-12/h4-7,17H,3,8,15H2,1-2H3,(H,16,19)
InChIKeyUXJOWDICDXOJLF-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.96
Rot. Bonds4

About 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide

5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide (PubChem CID 63117755) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide
PubChem CID63117755
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1cc2cc(N)ccc2[nH]1
InChIInChI=1S/C14H18N4O2/c1-3-18(8-13(19)16-2)14(20)12-7-9-6-10(15)4-5-11(9)17-12/h4-7,17H,3,8,15H2,1-2H3,(H,16,19)
InChIKeyUXJOWDICDXOJLF-UHFFFAOYSA-N
XLogP0.96
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-ethyl-N-methyl-1H-indole-2-carboxamide
CID 63117893
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 61094259
5-amino-N-ethyl-N-(furan-2-ylmethyl)-1H-indole-2-carboxamide
CID 62056822
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
2,4-diamino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61093678
5-amino-N-butan-2-yl-N-ethyl-1H-indole-2-carboxamide
CID 63117753
5-chloro-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-2-carboxamide
CID 134002575
5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 63118374
ethyl 2-[(5-amino-1H-indole-2-carbonyl)-methylamino]acetate
CID 63118284
5-amino-N-butyl-N-methyl-1H-indole-2-carboxamide
CID 62058452
5-bromo-N,N-diethyl-1H-indole-2-carboxamide
CID 46555997
N-(2-amino-2-oxoethyl)-N-ethyl-1H-indole-2-carboxamide
CID 103103798

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide (CID 63117755) is 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide is CCN(CC(=O)NC)C(=O)c1cc2cc(N)ccc2[nH]1.
What is the InChIKey of 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide?
The InChIKey is UXJOWDICDXOJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-18(8-13(19)16-2)14(20)12-7-9-6-10(15)4-5-11(9)17-12/h4-7,17H,3,8,15H2,1-2H3,(H,16,19).
What are the key properties of 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide?
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 63117755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).