ethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate

C23H28N2O3 — CID 18528134

IUPACethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc(N(CC)CC)cc1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C23H28N2O3/c1-5-25(6-2)20-14-10-18(11-15-20)16-21(23(27)28-7-3)24-22(26)19-12-8-17(4)9-13-19/h8-16H,5-7H2,1-4H3,(H,24,26)/b21-16-
InChIKeyBKEGJVPHIWFJJU-PGMHBOJBSA-N
MW380.49 g/mol
LogP4.18
Rot. Bonds8

About ethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate

ethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate (PubChem CID 18528134) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate
PubChem CID18528134
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nameethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate
SMILESCCOC(=O)/C(=C/c1ccc(N(CC)CC)cc1)NC(=O)c1ccc(C)cc1
InChIInChI=1S/C23H28N2O3/c1-5-25(6-2)20-14-10-18(11-15-20)16-21(23(27)28-7-3)24-22(26)19-12-8-17(4)9-13-19/h8-16H,5-7H2,1-4H3,(H,24,26)/b21-16-
InChIKeyBKEGJVPHIWFJJU-PGMHBOJBSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate?
The IUPAC name of ethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate (CID 18528134) is ethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate?
The canonical SMILES for ethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate is CCOC(=O)/C(=C/c1ccc(N(CC)CC)cc1)NC(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate?
The InChIKey is BKEGJVPHIWFJJU-PGMHBOJBSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-5-25(6-2)20-14-10-18(11-15-20)16-21(23(27)28-7-3)24-22(26)19-12-8-17(4)9-13-19/h8-16H,5-7H2,1-4H3,(H,24,26)/b21-16-.
What are the key properties of ethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate?
ethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate has a molecular weight of 380.49 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-[4-(diethylamino)phenyl]-2-[(4-methylbenzoyl)amino]prop-2-enoate is sourced from PubChem (CID 18528134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).