N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide

C22H26N2O2 — CID 2527490

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
SMILESC=CCOc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C22H26N2O2/c1-3-13-26-21-11-7-17(8-12-21)15-24(2)16-22(25)23-20-10-9-18-5-4-6-19(18)14-20/h3,7-12,14H,1,4-6,13,15-16H2,2H3,(H,23,25)
InChIKeyNZFATVJPWQHVFG-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.81
Rot. Bonds8

About N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide (PubChem CID 2527490) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
PubChem CID2527490
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
SMILESC=CCOc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C22H26N2O2/c1-3-13-26-21-11-7-17(8-12-21)15-24(2)16-22(25)23-20-10-9-18-5-4-6-19(18)14-20/h3,7-12,14H,1,4-6,13,15-16H2,2H3,(H,23,25)
InChIKeyNZFATVJPWQHVFG-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(4-nitrophenyl)acetamide
CID 9168252
2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 9167533
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8747426
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]acetamide
CID 9101861
N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 8677114
ethyl N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]carbamate
CID 9167602
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9168228
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methoxyphenoxy)propanamide
CID 24637635
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 9298717
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2710612
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9168111
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-iodophenoxy)acetamide
CID 2627640

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide (CID 2527490) is N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide is C=CCOc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide?
The InChIKey is NZFATVJPWQHVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-13-26-21-11-7-17(8-12-21)15-24(2)16-22(25)23-20-10-9-18-5-4-6-19(18)14-20/h3,7-12,14H,1,4-6,13,15-16H2,2H3,(H,23,25).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide has a molecular weight of 350.46 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 2527490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).