(Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide

C30H35N5O4 — CID 155112461

IUPAC(Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide
SMILESCc1cccc(/C(=C/N(C=O)CC(=O)N2CCC(n3cc(-c4ccccc4)[nH]c3=O)CC2)C(=O)N(C)C)c1C
InChIInChI=1S/C30H35N5O4/c1-21-9-8-12-25(22(21)2)26(29(38)32(3)4)17-33(20-36)19-28(37)34-15-13-24(14-16-34)35-18-27(31-30(35)39)23-10-6-5-7-11-23/h5-12,17-18,20,24H,13-16,19H2,1-4H3,(H,31,39)/b26-17-
InChIKeyCGKORFPEQIPAET-ONUIUJJFSA-N
MW529.64 g/mol
LogP3.21
Rot. Bonds8

About (Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide

(Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide (PubChem CID 155112461) has the molecular formula C30H35N5O4 and a molecular weight of 529.64 g/mol. Its IUPAC name is (Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide
PubChem CID155112461
Molecular FormulaC30H35N5O4
Molecular Weight529.64 g/mol
Exact Mass529.27
IUPAC Name(Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide
SMILESCc1cccc(/C(=C/N(C=O)CC(=O)N2CCC(n3cc(-c4ccccc4)[nH]c3=O)CC2)C(=O)N(C)C)c1C
InChIInChI=1S/C30H35N5O4/c1-21-9-8-12-25(22(21)2)26(29(38)32(3)4)17-33(20-36)19-28(37)34-15-13-24(14-16-34)35-18-27(31-30(35)39)23-10-6-5-7-11-23/h5-12,17-18,20,24H,13-16,19H2,1-4H3,(H,31,39)/b26-17-
InChIKeyCGKORFPEQIPAET-ONUIUJJFSA-N
XLogP3.21
TPSA98.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.64
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide?
The IUPAC name of (Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide (CID 155112461) is (Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide.
What is the SMILES notation for (Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide?
The canonical SMILES for (Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide is Cc1cccc(/C(=C/N(C=O)CC(=O)N2CCC(n3cc(-c4ccccc4)[nH]c3=O)CC2)C(=O)N(C)C)c1C.
What is the InChIKey of (Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide?
The InChIKey is CGKORFPEQIPAET-ONUIUJJFSA-N. The full InChI is InChI=1S/C30H35N5O4/c1-21-9-8-12-25(22(21)2)26(29(38)32(3)4)17-33(20-36)19-28(37)34-15-13-24(14-16-34)35-18-27(31-30(35)39)23-10-6-5-7-11-23/h5-12,17-18,20,24H,13-16,19H2,1-4H3,(H,31,39)/b26-17-.
What are the key properties of (Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide?
(Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide has a molecular weight of 529.64 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,3-dimethylphenyl)-3-[formyl-[2-oxo-2-[4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidin-1-yl]ethyl]amino]-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 155112461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).