5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide

C15H20N4O2 — CID 103106404

IUPAC5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H20N4O2/c1-4-19(3)15(21)9(2)18-14(20)12-8-17-13-6-5-10(16)7-11(12)13/h5-9,17H,4,16H2,1-3H3,(H,18,20)
InChIKeyGRTCAYXNIUKZKX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.35
Rot. Bonds4

About 5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide

5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide (PubChem CID 103106404) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide
PubChem CID103106404
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide
SMILESCCN(C)C(=O)C(C)NC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H20N4O2/c1-4-19(3)15(21)9(2)18-14(20)12-8-17-13-6-5-10(16)7-11(12)13/h5-9,17H,4,16H2,1-3H3,(H,18,20)
InChIKeyGRTCAYXNIUKZKX-UHFFFAOYSA-N
XLogP1.35
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.35
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-octan-2-yl-1H-indole-3-carboxamide
CID 63116814
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 103106426
5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide
CID 63116873
ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
CID 61498215
5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide
CID 106281055
5-amino-2,3-dichloro-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]benzamide
CID 107186105
6-amino-N-(2-methylpentan-3-yl)-1H-indole-3-carboxamide
CID 61469066
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide
CID 63116738
5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide
CID 79383870
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107121548
methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate
CID 63116714

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide (CID 103106404) is 5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide is CCN(C)C(=O)C(C)NC(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide?
The InChIKey is GRTCAYXNIUKZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-19(3)15(21)9(2)18-14(20)12-8-17-13-6-5-10(16)7-11(12)13/h5-9,17H,4,16H2,1-3H3,(H,18,20).
What are the key properties of 5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide?
5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1H-indole-3-carboxamide is sourced from PubChem (CID 103106404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).