ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate

C15H18N2O5 — CID 135907083

IUPACethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate
SMILESCCOC(=O)NC(=O)C(/C=N/c1ccc(OC)cc1)=C(/C)O
InChIInChI=1S/C15H18N2O5/c1-4-22-15(20)17-14(19)13(10(2)18)9-16-11-5-7-12(21-3)8-6-11/h5-9,18H,4H2,1-3H3,(H,17,19,20)/b13-10-,16-9+
InChIKeyDLPJAZCZYIRBTD-WZJDZZSVSA-N
MW306.32 g/mol
LogP2.50
Rot. Bonds5

About ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate

ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate (PubChem CID 135907083) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate
PubChem CID135907083
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Nameethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate
SMILESCCOC(=O)NC(=O)C(/C=N/c1ccc(OC)cc1)=C(/C)O
InChIInChI=1S/C15H18N2O5/c1-4-22-15(20)17-14(19)13(10(2)18)9-16-11-5-7-12(21-3)8-6-11/h5-9,18H,4H2,1-3H3,(H,17,19,20)/b13-10-,16-9+
InChIKeyDLPJAZCZYIRBTD-WZJDZZSVSA-N
XLogP2.50
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoate
CID 136799679
methyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoate
CID 135500470
ethyl N-[(Z)-2-(9H-fluoren-2-yliminomethyl)-3-hydroxybut-2-enoyl]carbamate
CID 171984271
ethyl N-[3-hydroxy-2-[(5-iodo-2-pyridinyl)iminomethyl]but-2-enoyl]carbamate
CID 135459590
3-amino-2-[(4-methoxyphenyl)iminomethyl]but-2-enoic acid
CID 147710768
ethyl 3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]-3-phenylprop-2-enoate
CID 149163330
ethyl 3-hydroxy-2-(phenyliminomethyl)but-2-enoate
CID 135534056
ethyl (E)-4,4,5,5,6,6,6-heptafluoro-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]hex-2-enoate
CID 137211307
2-(4-methoxyphenyl)iminoacetate
CID 22600240
2-(4-methoxyphenyl)iminoacetic acid
CID 21289850
ethyl (E)-3-(3-bromophenyl)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]prop-2-enoate
CID 171853934
(E)-N-(4-methoxyphenyl)-2-methylpent-2-en-1-imine
CID 14465614

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate?
The IUPAC name of ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate (CID 135907083) is ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate.
What is the SMILES notation for ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate?
The canonical SMILES for ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate is CCOC(=O)NC(=O)C(/C=N/c1ccc(OC)cc1)=C(/C)O.
What is the InChIKey of ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate?
The InChIKey is DLPJAZCZYIRBTD-WZJDZZSVSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-4-22-15(20)17-14(19)13(10(2)18)9-16-11-5-7-12(21-3)8-6-11/h5-9,18H,4H2,1-3H3,(H,17,19,20)/b13-10-,16-9+.
What are the key properties of ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate?
ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate has a molecular weight of 306.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-3-hydroxy-2-[(4-methoxyphenyl)iminomethyl]but-2-enoyl]carbamate is sourced from PubChem (CID 135907083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).