methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate

C24H27Cl2NO5 — CID 24759070

IUPACmethyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate
SMILESCCC(COC)Oc1ccc(/C=C/CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)OC)cc1
InChIInChI=1S/C24H27Cl2NO5/c1-4-17(15-30-2)32-18-13-11-16(12-14-18)7-5-10-21(24(29)31-3)27-23(28)22-19(25)8-6-9-20(22)26/h5-9,11-14,17,21H,4,10,15H2,1-3H3,(H,27,28)/b7-5+
InChIKeyFWNLBZFSZUCWCW-FNORWQNLSA-N
MW480.39 g/mol
LogP5.17
Rot. Bonds11

About methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate

methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate (PubChem CID 24759070) has the molecular formula C24H27Cl2NO5 and a molecular weight of 480.39 g/mol. Its IUPAC name is methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate.

Molecular Properties

Compound Namemethyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate
PubChem CID24759070
Molecular FormulaC24H27Cl2NO5
Molecular Weight480.39 g/mol
Exact Mass479.13
IUPAC Namemethyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate
SMILESCCC(COC)Oc1ccc(/C=C/CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)OC)cc1
InChIInChI=1S/C24H27Cl2NO5/c1-4-17(15-30-2)32-18-13-11-16(12-14-18)7-5-10-21(24(29)31-3)27-23(28)22-19(25)8-6-9-20(22)26/h5-9,11-14,17,21H,4,10,15H2,1-3H3,(H,27,28)/b7-5+
InChIKeyFWNLBZFSZUCWCW-FNORWQNLSA-N
XLogP5.17
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.39
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate with MolForge

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Related Compounds

methyl 2-[(2,6-dichlorobenzoyl)amino]-5-[4-(N-pyrimidin-2-ylanilino)phenyl]pent-4-enoate
CID 66912040
2-[(2,6-dichlorobenzoyl)amino]-5-(4-pyrimidin-2-yloxyphenyl)pent-4-enoic acid
CID 66912013
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-6-(2,6-dimethylanilino)-6-oxohex-4-enoate
CID 70123210
methyl 2,3-bis[(2,6-dichlorobenzoyl)amino]propanoate
CID 139970116
2-[(2,6-dichlorobenzoyl)amino]-5-[4-[methyl(pyrimidin-2-yl)amino]phenyl]pent-4-enoic acid
CID 66911929
methyl 2-[(2,6-dichlorobenzoyl)amino]pent-4-ynoate
CID 20610296
methyl 2-[(2,6-dimethylbenzoyl)amino]-5-[4-[methyl(pyrimidin-2-yl)amino]phenyl]pent-4-enoate
CID 66912017
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-(4-prop-2-enoxyphenyl)propanoate
CID 59665488
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2-(methylamino)ethoxy]phenyl]propanoate
CID 68909362
methyl 2-[(2,6-difluorobenzoyl)amino]-5-[4-[methyl(pyrimidin-2-yl)amino]phenyl]pent-4-enoate
CID 66911948
sodium;2-[(2,6-dichlorobenzoyl)amino]-5-[4-(4-methoxyoxepan-4-yl)phenyl]pent-4-enoic acid;hydride
CID 173031163
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-4-[(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-methoxy-3-oxopropyl]sulfanylbutanoate
CID 70122341

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate?
The IUPAC name of methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate (CID 24759070) is methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate.
What is the SMILES notation for methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate?
The canonical SMILES for methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate is CCC(COC)Oc1ccc(/C=C/CC(NC(=O)c2c(Cl)cccc2Cl)C(=O)OC)cc1.
What is the InChIKey of methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate?
The InChIKey is FWNLBZFSZUCWCW-FNORWQNLSA-N. The full InChI is InChI=1S/C24H27Cl2NO5/c1-4-17(15-30-2)32-18-13-11-16(12-14-18)7-5-10-21(24(29)31-3)27-23(28)22-19(25)8-6-9-20(22)26/h5-9,11-14,17,21H,4,10,15H2,1-3H3,(H,27,28)/b7-5+.
What are the key properties of methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate?
methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate has a molecular weight of 480.39 g/mol, XLogP of 5.17, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-[(2,6-dichlorobenzoyl)amino]-5-[4-(1-methoxybutan-2-yloxy)phenyl]pent-4-enoate is sourced from PubChem (CID 24759070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).