methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate

C34H36N2O5 — CID 91174241

IUPACmethyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate
SMILESCOC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(-c2c(C)cc(C)cc2C)o1)C1CCCCC1
InChIInChI=1S/C34H36N2O5/c1-20-16-21(2)30(22(3)17-20)28-14-15-29(41-28)33(38)35-27-19-25-13-9-8-12-24(25)18-26(27)32(37)36-31(34(39)40-4)23-10-6-5-7-11-23/h8-9,12-19,23,31H,5-7,10-11H2,1-4H3,(H,35,38)(H,36,37)/t31-/m0/s1
InChIKeyZGEBYGZWYMEXAB-HKBQPEDESA-N
MW552.67 g/mol
LogP7.13
Rot. Bonds7

About methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate

methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate (PubChem CID 91174241) has the molecular formula C34H36N2O5 and a molecular weight of 552.67 g/mol. Its IUPAC name is methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate
PubChem CID91174241
Molecular FormulaC34H36N2O5
Molecular Weight552.67 g/mol
Exact Mass552.26
IUPAC Namemethyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate
SMILESCOC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(-c2c(C)cc(C)cc2C)o1)C1CCCCC1
InChIInChI=1S/C34H36N2O5/c1-20-16-21(2)30(22(3)17-20)28-14-15-29(41-28)33(38)35-27-19-25-13-9-8-12-24(25)18-26(27)32(37)36-31(34(39)40-4)23-10-6-5-7-11-23/h8-9,12-19,23,31H,5-7,10-11H2,1-4H3,(H,35,38)(H,36,37)/t31-/m0/s1
InChIKeyZGEBYGZWYMEXAB-HKBQPEDESA-N
XLogP7.13
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.67
LogP ≤ 57.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-(oxan-4-yl)-2-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetate
CID 57423544
(2S)-2-cyclohexyl-2-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid
CID 44571381
methyl (2S)-2-[[3-[(4-butylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]-2-cyclohexylacetate
CID 90700745
methyl (2S)-2-(4-methylcyclohexyl)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]naphthalene-2-carbonyl]amino]acetate
CID 131738625
methyl (2S)-2-cyclopentyl-2-[[4-fluoro-2-[(2,4,6-trimethylphenyl)carbamoylamino]benzoyl]amino]acetate
CID 90951483
methyl (2S)-2-(4-methylcyclohexyl)-2-[[3-[(2,4,6-trichlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetate
CID 131738628
methyl (2S)-2-cyclohexyl-2-[[2-(4-methoxyphenyl)-4-[(2,4,6-trimethylphenyl)carbamoylamino]-1,3-thiazole-5-carbonyl]amino]acetate
CID 154433932
methyl (2S)-2-cyclohexyl-2-[[2-[(2,6-dimethylphenyl)carbamoylamino]-4-(4-methoxyphenyl)benzoyl]amino]acetate
CID 91030745
lithium;(2S)-2-[[3-[(4-bromo-2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]-2-cyclohexylacetic acid;hydroxide;hydrate
CID 159733827
(2S)-2-[[3-[(2-chlorophenyl)carbamoylamino]naphthalene-2-carbonyl]amino]-2-cyclohexylacetic acid
CID 44560952
N-(cyclohexylmethyl)-3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carboxamide
CID 58994763
(2S)-2-cyclohexyl-2-[[2-[(2,4,6-trimethylphenyl)carbamoylamino]quinoline-3-carbonyl]amino]acetic acid
CID 57462396

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate?
The IUPAC name of methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate (CID 91174241) is methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate.
What is the SMILES notation for methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate?
The canonical SMILES for methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate is COC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)c1ccc(-c2c(C)cc(C)cc2C)o1)C1CCCCC1.
What is the InChIKey of methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate?
The InChIKey is ZGEBYGZWYMEXAB-HKBQPEDESA-N. The full InChI is InChI=1S/C34H36N2O5/c1-20-16-21(2)30(22(3)17-20)28-14-15-29(41-28)33(38)35-27-19-25-13-9-8-12-24(25)18-26(27)32(37)36-31(34(39)40-4)23-10-6-5-7-11-23/h8-9,12-19,23,31H,5-7,10-11H2,1-4H3,(H,35,38)(H,36,37)/t31-/m0/s1.
What are the key properties of methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate?
methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate has a molecular weight of 552.67 g/mol, XLogP of 7.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-cyclohexyl-2-[[3-[[5-(2,4,6-trimethylphenyl)furan-2-carbonyl]amino]naphthalene-2-carbonyl]amino]acetate is sourced from PubChem (CID 91174241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).