5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide

C15H20N4O2 — CID 63116764

IUPAC5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H20N4O2/c1-2-3-6-19(9-14(17)20)15(21)12-8-18-13-5-4-10(16)7-11(12)13/h4-5,7-8,18H,2-3,6,9,16H2,1H3,(H2,17,20)
InChIKeySFLCXKXHGINCSQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.48
Rot. Bonds6

About 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide

5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide (PubChem CID 63116764) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
PubChem CID63116764
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H20N4O2/c1-2-3-6-19(9-14(17)20)15(21)12-8-18-13-5-4-10(16)7-11(12)13/h4-5,7-8,18H,2-3,6,9,16H2,1H3,(H2,17,20)
InChIKeySFLCXKXHGINCSQ-UHFFFAOYSA-N
XLogP1.48
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.48
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

N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
CID 60958664
5-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-carboxamide
CID 79383870
methyl 2-[(5-amino-1H-indole-3-carbonyl)-ethylamino]acetate
CID 63116714
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438
3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
5-amino-N-methyl-N-(2-methylpropyl)-1H-indole-3-carboxamide
CID 63116873
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284
5-amino-N-octan-2-yl-1H-indole-3-carboxamide
CID 63116814
6-amino-N-methyl-N-propyl-1H-indole-3-carboxamide
CID 61094974
3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide
CID 60946441
N-(2-amino-2-oxoethyl)-2,5-dibromo-N-butylbenzamide
CID 114371555
5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide
CID 64850889

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide (CID 63116764) is 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide is CCCCN(CC(N)=O)C(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide?
The InChIKey is SFLCXKXHGINCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-3-6-19(9-14(17)20)15(21)12-8-18-13-5-4-10(16)7-11(12)13/h4-5,7-8,18H,2-3,6,9,16H2,1H3,(H2,17,20).
What are the key properties of 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide?
5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide is sourced from PubChem (CID 63116764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).