4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione

C25H30N4O3 — CID 123780677

IUPAC4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione
SMILESCCCCNc1ccc(/N=C2\C/C(=N/c3ccc(NCC)cc3)C(=O)C(OC)C2=O)cc1
InChIInChI=1S/C25H30N4O3/c1-4-6-15-27-18-9-13-20(14-10-18)29-22-16-21(23(30)25(32-3)24(22)31)28-19-11-7-17(8-12-19)26-5-2/h7-14,25-27H,4-6,15-16H2,1-3H3/b28-21-,29-22+
InChIKeyYCIHFLBPLVRDHC-FJYRUYPUSA-N
MW434.54 g/mol
LogP4.73
Rot. Bonds9

About 4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione

4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione (PubChem CID 123780677) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione.

Molecular Properties

Compound Name4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione
PubChem CID123780677
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione
SMILESCCCCNc1ccc(/N=C2\C/C(=N/c3ccc(NCC)cc3)C(=O)C(OC)C2=O)cc1
InChIInChI=1S/C25H30N4O3/c1-4-6-15-27-18-9-13-20(14-10-18)29-22-16-21(23(30)25(32-3)24(22)31)28-19-11-7-17(8-12-19)26-5-2/h7-14,25-27H,4-6,15-16H2,1-3H3/b28-21-,29-22+
InChIKeyYCIHFLBPLVRDHC-FJYRUYPUSA-N
XLogP4.73
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione 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

4-butoxy-N-butylaniline
CID 15112153
1-N-ethyl-4-N-[4-[4-(ethylamino)anilino]butyl]benzene-1,4-diamine
CID 18622915
methyl 3-[4-(butylamino)phenyl]propanoate
CID 71061016
2-[2-hydroxyethyl(methyl)amino]-5-[4-(6-hydroxyhexylamino)phenyl]iminocyclohex-2-ene-1,4-dione
CID 123245711
N-octadecyl-4-phenyldiazenylaniline
CID 15787928
4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine
CID 163689454
N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263
N-butyl-3,4-dipropoxyaniline
CID 83961551
3-[4-(hexylamino)phenoxy]propanamide
CID 43676527
1-N-butyl-4-N,4-N-dimethylbenzene-1,4-diamine
CID 18322589
bis[4-(butylamino)phenyl]phosphinic acid
CID 139517434
N-butyl-4-(difluoromethoxy)aniline
CID 28623906

Frequently Asked Questions

What is the IUPAC name of 4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione?
The IUPAC name of 4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione (CID 123780677) is 4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione.
What is the SMILES notation for 4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione?
The canonical SMILES for 4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione is CCCCNc1ccc(/N=C2\C/C(=N/c3ccc(NCC)cc3)C(=O)C(OC)C2=O)cc1.
What is the InChIKey of 4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione?
The InChIKey is YCIHFLBPLVRDHC-FJYRUYPUSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-4-6-15-27-18-9-13-20(14-10-18)29-22-16-21(23(30)25(32-3)24(22)31)28-19-11-7-17(8-12-19)26-5-2/h7-14,25-27H,4-6,15-16H2,1-3H3/b28-21-,29-22+.
What are the key properties of 4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione?
4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione has a molecular weight of 434.54 g/mol, XLogP of 4.73, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(butylamino)phenyl]imino-6-[4-(ethylamino)phenyl]imino-2-methoxycyclohexane-1,3-dione is sourced from PubChem (CID 123780677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).