N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

C18H21N3O2 — CID 59917838

IUPACN-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCC(N)Cc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1
InChIInChI=1S/C18H21N3O2/c1-11(19)9-12-5-7-13(8-6-12)21-18(23)14-10-20-15-3-2-4-16(22)17(14)15/h5-8,10-11,20H,2-4,9,19H2,1H3,(H,21,23)
InChIKeyGROCQVBOWVFMLZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.68
Rot. Bonds4

About N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide

N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (PubChem CID 59917838) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
PubChem CID59917838
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
SMILESCC(N)Cc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1
InChIInChI=1S/C18H21N3O2/c1-11(19)9-12-5-7-13(8-6-12)21-18(23)14-10-20-15-3-2-4-16(22)17(14)15/h5-8,10-11,20H,2-4,9,19H2,1H3,(H,21,23)
InChIKeyGROCQVBOWVFMLZ-UHFFFAOYSA-N
XLogP2.68
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]benzoic acid
CID 15337628
4-oxo-N-pyridin-4-yl-1,5,6,7-tetrahydroindole-3-carboxamide
CID 18696546
N-[4-(2-hydroxyethoxy)phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 59983939
4-oxo-N-pyridin-3-yl-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 18696540
N-[3-[3-amino-3-(4-methylcyclohexyl)propoxy]phenyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxamide
CID 159899866
methyl-N-[2-[4-[(4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)amino]phenoxy]ethyl]-N-propylboronamidic acid
CID 59917848
N-(4-hydroxyphenyl)-6-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
CID 22730890
N-(4-ethylphenyl)-4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxamide
CID 54266113
N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
CID 82259731
N-(4-butan-2-ylphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24536546
N-(4-pentan-2-yloxyphenyl)-5,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaene-3-carboxamide
CID 91191686
6,6-dimethyl-4-oxo-N-phenyl-5,7-dihydro-1H-indole-3-carboxamide;ethane
CID 91352681

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The IUPAC name of N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide (CID 59917838) is N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide.
What is the SMILES notation for N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The canonical SMILES for N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is CC(N)Cc1ccc(NC(=O)c2c[nH]c3c2C(=O)CCC3)cc1.
What is the InChIKey of N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
The InChIKey is GROCQVBOWVFMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11(19)9-12-5-7-13(8-6-12)21-18(23)14-10-20-15-3-2-4-16(22)17(14)15/h5-8,10-11,20H,2-4,9,19H2,1H3,(H,21,23).
What are the key properties of N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide?
N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminopropyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 59917838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).