N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide

C21H24N2O2 — CID 48845425

IUPACN-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H24N2O2/c1-14-13-17-7-5-6-8-18(17)23(14)20(25)16-11-9-15(10-12-16)19(24)22-21(2,3)4/h5-12,14H,13H2,1-4H3,(H,22,24)
InChIKeyOYJGKVBHBNMIAW-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.81
Rot. Bonds2

About N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide

N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide (PubChem CID 48845425) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
PubChem CID48845425
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C21H24N2O2/c1-14-13-17-7-5-6-8-18(17)23(14)20(25)16-11-9-15(10-12-16)19(24)22-21(2,3)4/h5-12,14H,13H2,1-4H3,(H,22,24)
InChIKeyOYJGKVBHBNMIAW-UHFFFAOYSA-N
XLogP3.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl] acetate
CID 7336980
(3,5-dichloro-4-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 11702524
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26910884
1-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]-3-propan-2-ylurea
CID 71889672
5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 43083133
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173
[6-(ethylamino)-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62172788
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide?
The IUPAC name of N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide (CID 48845425) is N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide.
What is the SMILES notation for N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide?
The canonical SMILES for N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide is CC1Cc2ccccc2N1C(=O)c1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide?
The InChIKey is OYJGKVBHBNMIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-14-13-17-7-5-6-8-18(17)23(14)20(25)16-11-9-15(10-12-16)19(24)22-21(2,3)4/h5-12,14H,13H2,1-4H3,(H,22,24).
What are the key properties of N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide?
N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide is sourced from PubChem (CID 48845425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).