methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate

C21H19NO5 — CID 159230156

IUPACmethyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate
SMILESCOC(=O)/C=C\C(=O)Cc1ccc(NC(=O)/C=C\C(C)=O)c2ccccc12
InChIInChI=1S/C21H19NO5/c1-14(23)7-11-20(25)22-19-10-8-15(17-5-3-4-6-18(17)19)13-16(24)9-12-21(26)27-2/h3-12H,13H2,1-2H3,(H,22,25)/b11-7-,12-9-
InChIKeyDJQHRQRPNDJFPN-CFXHALTNSA-N
MW365.39 g/mol
LogP2.76
Rot. Bonds7

About methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate

methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate (PubChem CID 159230156) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate
PubChem CID159230156
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Namemethyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate
SMILESCOC(=O)/C=C\C(=O)Cc1ccc(NC(=O)/C=C\C(C)=O)c2ccccc12
InChIInChI=1S/C21H19NO5/c1-14(23)7-11-20(25)22-19-10-8-15(17-5-3-4-6-18(17)19)13-16(24)9-12-21(26)27-2/h3-12H,13H2,1-2H3,(H,22,25)/b11-7-,12-9-
InChIKeyDJQHRQRPNDJFPN-CFXHALTNSA-N
XLogP2.76
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate with MolForge

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Related Compounds

methyl (Z)-4-[4-[[(Z)-4-methoxy-4-oxobut-2-enoyl]amino]-2,3-dimethylanilino]-4-oxobut-2-enoate
CID 134489407
methyl (E)-4-(2-methylanilino)-4-oxobut-2-enoate
CID 12621199
methyl (E)-4-(2-methoxyanilino)-4-oxobut-2-enoate
CID 851837
methyl (E)-4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
CID 851932
methyl (Z)-5-(2,6-dimethoxyphenyl)-4-oxopent-2-enoate
CID 146922044
4-[[5-(3-carboxylatoprop-2-enoylamino)naphthalen-1-yl]amino]-4-oxobut-2-enoate
CID 4092400
methyl (E)-3-[4-[5-[4-[(E)-3-methoxy-3-oxoprop-1-enyl]naphthalen-1-yl]pentyl]naphthalen-1-yl]prop-2-enoate
CID 15467784
ethyl 4-(2-hydroxyanilino)-4-oxobut-2-enoate
CID 131843692
(E)-4-[2-[[acetyl(methyl)amino]methyl]anilino]-4-oxobut-2-enoic acid
CID 60941940
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
(E)-4-[2-(methoxymethyl)anilino]-4-oxobut-2-enoic acid
CID 54868087
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate?
The IUPAC name of methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate (CID 159230156) is methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate.
What is the SMILES notation for methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate?
The canonical SMILES for methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate is COC(=O)/C=C\C(=O)Cc1ccc(NC(=O)/C=C\C(C)=O)c2ccccc12.
What is the InChIKey of methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate?
The InChIKey is DJQHRQRPNDJFPN-CFXHALTNSA-N. The full InChI is InChI=1S/C21H19NO5/c1-14(23)7-11-20(25)22-19-10-8-15(17-5-3-4-6-18(17)19)13-16(24)9-12-21(26)27-2/h3-12H,13H2,1-2H3,(H,22,25)/b11-7-,12-9-.
What are the key properties of methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate?
methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate has a molecular weight of 365.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-4-oxo-5-[4-[[(Z)-4-oxopent-2-enoyl]amino]naphthalen-1-yl]pent-2-enoate is sourced from PubChem (CID 159230156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).