N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide

C13H15N3O2 — CID 115674677

IUPACN-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C13H15N3O2/c1-8(7-12(14)17)16-13(18)10-3-2-4-11-9(10)5-6-15-11/h2-6,8,15H,7H2,1H3,(H2,14,17)(H,16,18)
InChIKeyNHLKLVSIZQKCNR-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.16
Rot. Bonds4

About N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide

N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide (PubChem CID 115674677) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
PubChem CID115674677
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C13H15N3O2/c1-8(7-12(14)17)16-13(18)10-3-2-4-11-9(10)5-6-15-11/h2-6,8,15H,7H2,1H3,(H2,14,17)(H,16,18)
InChIKeyNHLKLVSIZQKCNR-UHFFFAOYSA-N
XLogP1.16
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxybutan-2-yl)-1H-indole-4-carboxamide
CID 81043314
N-[(2S)-4-oxo-4-phenylbutan-2-yl]-1H-indole-4-carboxamide
CID 97086507
N-(1-phenylpropan-2-yl)-1H-indole-4-carboxamide
CID 63010445
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
1H-indole-4-carbohydrazide
CID 43316644
methyl (2S)-3-hydroxy-2-(1H-indole-4-carbonylamino)propanoate
CID 152504979
tert-butyl (2R)-2-(1H-indole-4-carbonylamino)propanoate
CID 80998151
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 115664821
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide
CID 115672235
methyl 2-hydroxy-3-(1H-indole-4-carbonylamino)propanoate
CID 103957814

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide (CID 115674677) is N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide is CC(CC(N)=O)NC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide?
The InChIKey is NHLKLVSIZQKCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8(7-12(14)17)16-13(18)10-3-2-4-11-9(10)5-6-15-11/h2-6,8,15H,7H2,1H3,(H2,14,17)(H,16,18).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide?
N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-1H-indole-4-carboxamide is sourced from PubChem (CID 115674677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).