N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide

C22H24N2O — CID 23723445

IUPACN-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C22H24N2O/c1-3-9-21(25)23-17-22(14-19-12-7-8-13-20(19)15-22)24(2)16-18-10-5-4-6-11-18/h4-8,10-13H,14-17H2,1-2H3,(H,23,25)
InChIKeyCVXHOZCDIFBODV-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.80
Rot. Bonds5

About N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide

N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide (PubChem CID 23723445) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide.

Molecular Properties

Compound NameN-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide
PubChem CID23723445
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC NameN-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide
SMILESCC#CC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C22H24N2O/c1-3-9-21(25)23-17-22(14-19-12-7-8-13-20(19)15-22)24(2)16-18-10-5-4-6-11-18/h4-8,10-13H,14-17H2,1-2H3,(H,23,25)
InChIKeyCVXHOZCDIFBODV-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Remacemide
CID 60511
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 23644771
3-(9H-fluoren-9-yl)-1,1-dimethylurea
CID 950587
N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide
CID 23723780
(S)-N-(biphenyl-2-ylmethyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11529874
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-propionamide
CID 11536862
N-Biphenyl-2-ylmethyl-3-methyl-N-(S)-pyrrolidin-3-yl-butyramide
CID 11566229
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-butyramide
CID 11616771
N-({2-[benzyl(methyl)amino]-2,3-dihydro-1H-inden-2-yl}methyl)-4,4,4-trifluorobutanamide
CID 23723919
N-Biphenyl-2-ylmethyl-N-(S)-pyrrolidin-3-yl-acetamide
CID 44578369
2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-N-propan-2-ylacetamide
CID 45489070
N-[(N''-Indan-2-yl-N''-propyl)-4-aminobutyl]methylcarboxamide
CID 52937773

Frequently Asked Questions

What is the IUPAC name of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide?
The IUPAC name of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide (CID 23723445) is N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide.
What is the SMILES notation for N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide?
The canonical SMILES for N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide is CC#CC(=O)NCC1(N(C)Cc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide?
The InChIKey is CVXHOZCDIFBODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-3-9-21(25)23-17-22(14-19-12-7-8-13-20(19)15-22)24(2)16-18-10-5-4-6-11-18/h4-8,10-13H,14-17H2,1-2H3,(H,23,25).
What are the key properties of N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide?
N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide has a molecular weight of 332.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]methyl]but-2-ynamide is sourced from PubChem (CID 23723445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).