4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide

C22H26N2O3 — CID 102563847

IUPAC4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide
SMILESCC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)CC(O)C3)cc1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)21(27)23-13-14-4-6-15(7-5-14)20(26)24-18-9-8-16-11-19(25)12-17(16)10-18/h4-10,19,25H,11-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyVCGLGKUUHXXNGD-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.06
Rot. Bonds4

About 4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide

4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide (PubChem CID 102563847) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide.

Molecular Properties

Compound Name4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide
PubChem CID102563847
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide
SMILESCC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)CC(O)C3)cc1
InChIInChI=1S/C22H26N2O3/c1-22(2,3)21(27)23-13-14-4-6-15(7-5-14)20(26)24-18-9-8-16-11-19(25)12-17(16)10-18/h4-10,19,25H,11-13H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyVCGLGKUUHXXNGD-UHFFFAOYSA-N
XLogP3.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]-1,2,3,4-tetrahydronaphthalen-2-yl]acetic acid
CID 19048788
N-(2-amino-2-methylpropyl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119626861
[3-[[4-[(2,2-dimethylpropanoylamino)methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928421
methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoate
CID 26688501
4-tert-butyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)benzamide
CID 140896281
N-[[3-[(2-amino-2,3-dihydro-1H-inden-5-yl)carbamoyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 59190838
cis-(1S,3R)-3-[[4-[(2,2-dimethylpropanoylamino)methyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676313
4-[(2,2-dimethylpropanoylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450570
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
tert-butyl N-[[4-[(4-iodophenyl)carbamoyl]phenyl]methyl]carbamate
CID 46525552
N-phenyl-4-[[(2,2,2-trifluoroacetyl)amino]methyl]benzamide
CID 46915048
4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
CID 18140391

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide?
The IUPAC name of 4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide (CID 102563847) is 4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide.
What is the SMILES notation for 4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide?
The canonical SMILES for 4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide is CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)CC(O)C3)cc1.
What is the InChIKey of 4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide?
The InChIKey is VCGLGKUUHXXNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,3)21(27)23-13-14-4-6-15(7-5-14)20(26)24-18-9-8-16-11-19(25)12-17(16)10-18/h4-10,19,25H,11-13H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide?
4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylpropanoylamino)methyl]-N-(2-hydroxy-2,3-dihydro-1H-inden-5-yl)benzamide is sourced from PubChem (CID 102563847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).