2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide

C14H20N4O2 — CID 61476410

IUPAC2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H20N4O2/c1-3-4-16-14(20)8(2)17-12-7-11-9(5-10(12)15)6-13(19)18-11/h5,7-8,17H,3-4,6,15H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyCSINYFVUBDVFIB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.09
Rot. Bonds5

About 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide

2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide (PubChem CID 61476410) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide
PubChem CID61476410
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1cc2c(cc1N)CC(=O)N2
InChIInChI=1S/C14H20N4O2/c1-3-4-16-14(20)8(2)17-12-7-11-9(5-10(12)15)6-13(19)18-11/h5,7-8,17H,3-4,6,15H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyCSINYFVUBDVFIB-UHFFFAOYSA-N
XLogP1.09
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43451662
5-amino-6-(hexan-2-ylamino)-1,3-dihydroindol-2-one
CID 62196263
N-ethyl-2-[(5-nitro-2-oxo-1,3-dihydroindol-6-yl)amino]propanamide
CID 61480339
5-amino-6-(1-cyclopropylpropan-2-ylamino)-1,3-dihydroindol-2-one
CID 63990134
5-amino-6-(2-hydroxybutylamino)-1,3-dihydroindol-2-one
CID 113491919
5-amino-6-(2-aminoethylamino)-1,3-dihydroindol-2-one
CID 62480998
5-amino-6-(7-methyloctylamino)-1,3-dihydroindol-2-one
CID 107814730
3-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-2,2-dimethylpropanamide
CID 106275147
5-amino-6-[(2-ethyl-2-hydroxybutyl)amino]-1,3-dihydroindol-2-one
CID 65103163
2-[(7-amino-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-N-ethyl-N-methylpropanamide
CID 103106773
6-amino-7-(butan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455512
5-amino-6-[(4-hydroxy-2,2-dimethylbutyl)amino]-1,3-dihydroindol-2-one
CID 106140691

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide (CID 61476410) is 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1cc2c(cc1N)CC(=O)N2.
What is the InChIKey of 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide?
The InChIKey is CSINYFVUBDVFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-4-16-14(20)8(2)17-12-7-11-9(5-10(12)15)6-13(19)18-11/h5,7-8,17H,3-4,6,15H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide?
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 61476410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).