2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide

C29H30N2O2 — CID 167547683

IUPAC2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)CC2=CCc3ccccc32)cc1
InChIInChI=1S/C29H30N2O2/c1-20(2)21-15-17-25(18-16-21)30-29(33)28(23-10-5-4-6-11-23)31(3)27(32)19-24-14-13-22-9-7-8-12-26(22)24/h4-12,14-18,20,28H,13,19H2,1-3H3,(H,30,33)
InChIKeyBZRKNGSFHOQIAF-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.98
Rot. Bonds7

About 2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide

2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 167547683) has the molecular formula C29H30N2O2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
PubChem CID167547683
Molecular FormulaC29H30N2O2
Molecular Weight438.57 g/mol
Exact Mass438.23
IUPAC Name2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)CC2=CCc3ccccc32)cc1
InChIInChI=1S/C29H30N2O2/c1-20(2)21-15-17-25(18-16-21)30-29(33)28(23-10-5-4-6-11-23)31(3)27(32)19-24-14-13-22-9-7-8-12-26(22)24/h4-12,14-18,20,28H,13,19H2,1-3H3,(H,30,33)
InChIKeyBZRKNGSFHOQIAF-UHFFFAOYSA-N
XLogP5.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-methylanilino)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 4130020
2-(4-aminophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 143794395
dimethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium
CID 4173058
(2S)-2-phenyl-N-(4-propan-2-ylphenyl)butanamide
CID 803292
diethyl-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]azanium
CID 4173131
N-(4-acetamidophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 47839295
(2S)-N-(4-fluorophenyl)-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenylacetamide
CID 90661442
N-[4-(dimethylamino)phenyl]-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide
CID 43821033
2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-N-(4-methoxyphenyl)-2-phenylacetamide
CID 4695262
2-(methylamino)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 146675512
2-[(2-fluorophenyl)methyl-methylamino]-N,2-diphenylacetamide
CID 18124307
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 680388

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide (CID 167547683) is 2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)CC2=CCc3ccccc32)cc1.
What is the InChIKey of 2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is BZRKNGSFHOQIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O2/c1-20(2)21-15-17-25(18-16-21)30-29(33)28(23-10-5-4-6-11-23)31(3)27(32)19-24-14-13-22-9-7-8-12-26(22)24/h4-12,14-18,20,28H,13,19H2,1-3H3,(H,30,33).
What are the key properties of 2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide?
2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 438.57 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3H-inden-1-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 167547683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).