ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate

C30H32N2O4 — CID 118477288

IUPACethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
SMILESCCOC(=O)CC1(CC)CCc2cc(-c3ccc(NC(=O)Nc4ccc(C)cc4)cc3)ccc2C1=O
InChIInChI=1S/C30H32N2O4/c1-4-30(19-27(33)36-5-2)17-16-23-18-22(10-15-26(23)28(30)34)21-8-13-25(14-9-21)32-29(35)31-24-11-6-20(3)7-12-24/h6-15,18H,4-5,16-17,19H2,1-3H3,(H2,31,32,35)
InChIKeyXQHJHEVIFDQIPR-UHFFFAOYSA-N
MW484.60 g/mol
LogP6.78
Rot. Bonds7

About ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate

ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate (PubChem CID 118477288) has the molecular formula C30H32N2O4 and a molecular weight of 484.60 g/mol. Its IUPAC name is ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
PubChem CID118477288
Molecular FormulaC30H32N2O4
Molecular Weight484.60 g/mol
Exact Mass484.24
IUPAC Nameethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
SMILESCCOC(=O)CC1(CC)CCc2cc(-c3ccc(NC(=O)Nc4ccc(C)cc4)cc3)ccc2C1=O
InChIInChI=1S/C30H32N2O4/c1-4-30(19-27(33)36-5-2)17-16-23-18-22(10-15-26(23)28(30)34)21-8-13-25(14-9-21)32-29(35)31-24-11-6-20(3)7-12-24/h6-15,18H,4-5,16-17,19H2,1-3H3,(H2,31,32,35)
InChIKeyXQHJHEVIFDQIPR-UHFFFAOYSA-N
XLogP6.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 56.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-ethyl-1-oxo-6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-3,4-dihydronaphthalen-2-yl]acetate
CID 71063109
ethyl 2-[1-oxo-6-[4-(phenylcarbamoylamino)phenyl]-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetate
CID 71063101
ethyl 2-[(2S)-2-ethyl-6-methyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
CID 118477298
2-[2-ethyl-6-[4-[(4-methoxyphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetic acid
CID 71061696
carbanide;ethane;2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetic acid;iron;2-methyloxolane
CID 159845062
2-[6-[4-[(4-chlorophenyl)carbamoylamino]-3-fluorophenyl]-2-ethyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetic acid
CID 71061458
ethyl 2-[6-(4-amino-2-chlorophenyl)-2-ethyl-1-oxo-3,4-dihydronaphthalen-2-yl]acetate
CID 89239936
ethyl 2-(2-ethyl-6-methoxy-1-oxo-3,4-dihydronaphthalen-2-yl)acetate
CID 71062915
2-[(2S)-2-ethyl-1-oxo-6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-3,4-dihydronaphthalen-2-yl]acetic acid
CID 71080439
ethyl 2-[2-methoxy-1-oxo-6-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-3,4-dihydronaphthalen-2-yl]acetate
CID 71080456
2-[6-[4-[(4-ethylphenyl)carbamoylamino]phenyl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid
CID 118477303
2-[(2R)-6-[4-[(4-ethylphenyl)carbamoylamino]phenyl]-1-oxo-2-(2,2,2-trifluoroethyl)-3,4-dihydronaphthalen-2-yl]acetic acid
CID 118467770

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate?
The IUPAC name of ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate (CID 118477288) is ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate.
What is the SMILES notation for ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate?
The canonical SMILES for ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate is CCOC(=O)CC1(CC)CCc2cc(-c3ccc(NC(=O)Nc4ccc(C)cc4)cc3)ccc2C1=O.
What is the InChIKey of ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate?
The InChIKey is XQHJHEVIFDQIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4/c1-4-30(19-27(33)36-5-2)17-16-23-18-22(10-15-26(23)28(30)34)21-8-13-25(14-9-21)32-29(35)31-24-11-6-20(3)7-12-24/h6-15,18H,4-5,16-17,19H2,1-3H3,(H2,31,32,35).
What are the key properties of ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate?
ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate has a molecular weight of 484.60 g/mol, XLogP of 6.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-ethyl-6-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1-oxo-3,4-dihydronaphthalen-2-yl]acetate is sourced from PubChem (CID 118477288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).