2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide

C25H32N2O3 — CID 122658347

IUPAC2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide
SMILESCc1ccccc1C1CCc2cc(OC3CCC(CNC(=O)CN)CC3)ccc2O1
InChIInChI=1S/C25H32N2O3/c1-17-4-2-3-5-22(17)24-12-8-19-14-21(11-13-23(19)30-24)29-20-9-6-18(7-10-20)16-27-25(28)15-26/h2-5,11,13-14,18,20,24H,6-10,12,15-16,26H2,1H3,(H,27,28)
InChIKeyGWWKKVNLNGSGTD-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.07
Rot. Bonds6

About 2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide

2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide (PubChem CID 122658347) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide
PubChem CID122658347
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide
SMILESCc1ccccc1C1CCc2cc(OC3CCC(CNC(=O)CN)CC3)ccc2O1
InChIInChI=1S/C25H32N2O3/c1-17-4-2-3-5-22(17)24-12-8-19-14-21(11-13-23(19)30-24)29-20-9-6-18(7-10-20)16-27-25(28)15-26/h2-5,11,13-14,18,20,24H,6-10,12,15-16,26H2,1H3,(H,27,28)
InChIKeyGWWKKVNLNGSGTD-UHFFFAOYSA-N
XLogP4.07
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide with MolForge

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Related Compounds

N-[[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]methyl]acetamide
CID 122658487
N-cyclopentyl-4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexan-1-amine
CID 122658252
4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(2-methylsulfanylethyl)cyclohexan-1-amine
CID 122658425
4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 78319950
[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexanecarbonyl] 4-[[2-(3-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexane-1-carboxylate
CID 90390107
6-cyclohexyloxy-2-(2-methylphenyl)-3,4-dihydro-2H-chromene;oxolan-3-ylmethanamine;prop-1-ene
CID 144695953
N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-2-methylsulfanylacetamide
CID 122658465
N-(2-amino-2-oxoethyl)-4-[[2-(3-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexane-1-carboxamide
CID 122658244
N-[4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]-3-methoxypropanamide
CID 122658397
(2S)-2-amino-3-hydroxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
CID 122658193
4-[[2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 122658307
3-methoxy-N-[4-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]cyclohexyl]propanamide
CID 142771428

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide (CID 122658347) is 2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide is Cc1ccccc1C1CCc2cc(OC3CCC(CNC(=O)CN)CC3)ccc2O1.
What is the InChIKey of 2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide?
The InChIKey is GWWKKVNLNGSGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-17-4-2-3-5-22(17)24-12-8-19-14-21(11-13-23(19)30-24)29-20-9-6-18(7-10-20)16-27-25(28)15-26/h2-5,11,13-14,18,20,24H,6-10,12,15-16,26H2,1H3,(H,27,28).
What are the key properties of 2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide?
2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide has a molecular weight of 408.54 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 122658347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).