prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate

C24H26N2O4 — CID 69211976

IUPACprop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate
SMILESC=CCOC(=O)Nc1cccc(C(=O)C=C2NC(C)(C)Cc3ccc(OC)cc32)c1
InChIInChI=1S/C24H26N2O4/c1-5-11-30-23(28)25-18-8-6-7-16(12-18)22(27)14-21-20-13-19(29-4)10-9-17(20)15-24(2,3)26-21/h5-10,12-14,26H,1,11,15H2,2-4H3,(H,25,28)
InChIKeyAGJICDVQODUVPR-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.58
Rot. Bonds6

About prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate

prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate (PubChem CID 69211976) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate
PubChem CID69211976
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Nameprop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate
SMILESC=CCOC(=O)Nc1cccc(C(=O)C=C2NC(C)(C)Cc3ccc(OC)cc32)c1
InChIInChI=1S/C24H26N2O4/c1-5-11-30-23(28)25-18-8-6-7-16(12-18)22(27)14-21-20-13-19(29-4)10-9-17(20)15-24(2,3)26-21/h5-10,12-14,26H,1,11,15H2,2-4H3,(H,25,28)
InChIKeyAGJICDVQODUVPR-UHFFFAOYSA-N
XLogP4.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]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

2-methylpropyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate
CID 69214478
4-fluoro-N-[3-[(2Z)-2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]benzamide
CID 69209550
N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]-4-methylbenzamide
CID 69211203
4-ethoxy-N-[3-[(2Z)-2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]benzamide
CID 69214746
3,5-dichloro-N-[3-[(2Z)-2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]benzamide
CID 69214072
N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]furan-2-carboxamide
CID 69209890
2-ethylhexyl N-[3-[(2Z)-2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate
CID 69215505
N-[3-[(2Z)-2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]but-2-enamide
CID 69215223
N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]-4-propylbenzamide
CID 69214233
4-chloro-N-[3-[(2Z)-2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]butanamide
CID 69212130
3,4-dichloro-N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]benzamide
CID 69213978
N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]-2-propylpentanamide
CID 69214522

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate?
The IUPAC name of prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate (CID 69211976) is prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate?
The canonical SMILES for prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate is C=CCOC(=O)Nc1cccc(C(=O)C=C2NC(C)(C)Cc3ccc(OC)cc32)c1.
What is the InChIKey of prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate?
The InChIKey is AGJICDVQODUVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-5-11-30-23(28)25-18-8-6-7-16(12-18)22(27)14-21-20-13-19(29-4)10-9-17(20)15-24(2,3)26-21/h5-10,12-14,26H,1,11,15H2,2-4H3,(H,25,28).
What are the key properties of prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate?
prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate has a molecular weight of 406.48 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[3-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]carbamate is sourced from PubChem (CID 69211976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).