N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide

C29H31N3O — CID 118569828

IUPACN-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4cc(C(=O)Nc5ccccc5N)ccc4[nH]3)ccc21
InChIInChI=1S/C29H31N3O/c1-28(2)13-14-29(3,4)22-16-18(9-11-21(22)28)26-17-20-15-19(10-12-24(20)31-26)27(33)32-25-8-6-5-7-23(25)30/h5-12,15-17,31H,13-14,30H2,1-4H3,(H,32,33)
InChIKeyNFOBTCXBTRADRA-UHFFFAOYSA-N
MW437.59 g/mol
LogP7.02
Rot. Bonds3

About N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide

N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide (PubChem CID 118569828) has the molecular formula C29H31N3O and a molecular weight of 437.59 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide
PubChem CID118569828
Molecular FormulaC29H31N3O
Molecular Weight437.59 g/mol
Exact Mass437.25
IUPAC NameN-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(-c3cc4cc(C(=O)Nc5ccccc5N)ccc4[nH]3)ccc21
InChIInChI=1S/C29H31N3O/c1-28(2)13-14-29(3,4)22-16-18(9-11-21(22)28)26-17-20-15-19(10-12-24(20)31-26)27(33)32-25-8-6-5-7-23(25)30/h5-12,15-17,31H,13-14,30H2,1-4H3,(H,32,33)
InChIKeyNFOBTCXBTRADRA-UHFFFAOYSA-N
XLogP7.02
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.59
LogP ≤ 57.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-methoxybenzoyl)amino]phenyl]-N-phenyl-1H-indole-5-carboxamide
CID 10389580
[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indol-6-yl] hydrogen carbonate
CID 23170694
N-(1H-indol-5-yl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 11559292
N-(2,4-dihydroxyphenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carboxamide
CID 166326596
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
CID 20786059
1-(2-phenyl-1H-indol-5-yl)ethanone
CID 44542857
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
2-(4,4-dimethyl-2,3-dihydrothiochromen-6-yl)-1H-indole-6-carboxylic acid
CID 118569913
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
4-[3-[5-(aminomethyl)-1H-indol-2-yl]-3-oxopropyl]-N-(2-aminophenyl)benzamide
CID 159603490
N-(2-amino-5-methylphenyl)naphthalene-2-carboxamide
CID 115912255

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide?
The IUPAC name of N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide (CID 118569828) is N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide is CC1(C)CCC(C)(C)c2cc(-c3cc4cc(C(=O)Nc5ccccc5N)ccc4[nH]3)ccc21.
What is the InChIKey of N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide?
The InChIKey is NFOBTCXBTRADRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O/c1-28(2)13-14-29(3,4)22-16-18(9-11-21(22)28)26-17-20-15-19(10-12-24(20)31-26)27(33)32-25-8-6-5-7-23(25)30/h5-12,15-17,31H,13-14,30H2,1-4H3,(H,32,33).
What are the key properties of N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide?
N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 7.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 118569828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).