2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide

C22H27N3O2 — CID 139794656

IUPAC2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide
SMILESCc1cc(-c2[nH]c3ccc(NC(=O)CN)cc3c2C)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H27N3O2/c1-12-8-14(9-17(21(12)27)22(3,4)5)20-13(2)16-10-15(24-19(26)11-23)6-7-18(16)25-20/h6-10,25,27H,11,23H2,1-5H3,(H,24,26)
InChIKeyDQXUVLBBMZLNQZ-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.35
Rot. Bonds3

About 2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide

2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide (PubChem CID 139794656) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide
PubChem CID139794656
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide
SMILESCc1cc(-c2[nH]c3ccc(NC(=O)CN)cc3c2C)cc(C(C)(C)C)c1O
InChIInChI=1S/C22H27N3O2/c1-12-8-14(9-17(21(12)27)22(3,4)5)20-13(2)16-10-15(24-19(26)11-23)6-7-18(16)25-20/h6-10,25,27H,11,23H2,1-5H3,(H,24,26)
InChIKeyDQXUVLBBMZLNQZ-UHFFFAOYSA-N
XLogP4.35
TPSA91.14 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]amino]-4-oxobutanoic acid
CID 139794668
N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-phenylsulfanyl-1H-indol-5-yl]acetamide
CID 139794676
N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-1H-indol-5-yl]acetamide
CID 139794666
N-[2-hydroxy-5-[5-(methanesulfonamido)-3-methyl-1H-indol-2-yl]-3-methylphenyl]-N-methylacetamide
CID 139810320
2-amino-N-(3-amino-4-methylphenyl)acetamide
CID 146654157
2-amino-N-[3-(iodoamino)-4-methylphenyl]acetamide
CID 146654172
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 25496772
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
N-[2-(3-amino-4-hydroxyphenyl)-3-methyl-1H-indol-5-yl]methanesulfonamide;hydrochloride
CID 139810334
2-amino-N-(3,4-difluorophenyl)acetamide
CID 2410802
2-amino-N-(4-tert-butyl-2-methylphenyl)acetamide
CID 82494146
2-amino-N-(6-methylnaphthalen-2-yl)acetamide
CID 115151559

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide?
The IUPAC name of 2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide (CID 139794656) is 2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide?
The canonical SMILES for 2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide is Cc1cc(-c2[nH]c3ccc(NC(=O)CN)cc3c2C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide?
The InChIKey is DQXUVLBBMZLNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-12-8-14(9-17(21(12)27)22(3,4)5)20-13(2)16-10-15(24-19(26)11-23)6-7-18(16)25-20/h6-10,25,27H,11,23H2,1-5H3,(H,24,26).
What are the key properties of 2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide?
2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 4.35, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-methyl-1H-indol-5-yl]acetamide is sourced from PubChem (CID 139794656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).