N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide

C31H29N3O2 — CID 92659209

IUPACN-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2c(C)n(Cc3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C31H29N3O2/c1-3-19-36-26-17-15-24(16-18-26)31(35)33-32-20-29-22(2)34(30-14-7-6-13-28(29)30)21-25-11-8-10-23-9-4-5-12-27(23)25/h4-18,20H,3,19,21H2,1-2H3,(H,33,35)/b32-20-
InChIKeyFAYRSPVUIPAQFE-RGXNXFOYSA-N
MW475.59 g/mol
LogP6.70
Rot. Bonds8

About N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide

N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide (PubChem CID 92659209) has the molecular formula C31H29N3O2 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide
PubChem CID92659209
Molecular FormulaC31H29N3O2
Molecular Weight475.59 g/mol
Exact Mass475.23
IUPAC NameN-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2c(C)n(Cc3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C31H29N3O2/c1-3-19-36-26-17-15-24(16-18-26)31(35)33-32-20-29-22(2)34(30-14-7-6-13-28(29)30)21-25-11-8-10-23-9-4-5-12-27(23)25/h4-18,20H,3,19,21H2,1-2H3,(H,33,35)/b32-20-
InChIKeyFAYRSPVUIPAQFE-RGXNXFOYSA-N
XLogP6.70
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.59
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide 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

N-[(Z)-[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-4-ethoxybenzamide
CID 29148711
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
ethyl 2-[3-[(Z)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]-2-methylindol-1-yl]acetate
CID 29148713
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-ethoxybenzamide
CID 17246252
N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658986
N-[(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 4615384
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-hydroxybenzamide
CID 46501991
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 126259376
4-ethoxy-N-[(E)-(2-methyl-1-propan-2-ylindol-3-yl)methylideneamino]benzamide
CID 17246511
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-4-propoxybenzamide
CID 136727560
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide
CID 92658950

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide (CID 92659209) is N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C\c2c(C)n(Cc3cccc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide?
The InChIKey is FAYRSPVUIPAQFE-RGXNXFOYSA-N. The full InChI is InChI=1S/C31H29N3O2/c1-3-19-36-26-17-15-24(16-18-26)31(35)33-32-20-29-22(2)34(30-14-7-6-13-28(29)30)21-25-11-8-10-23-9-4-5-12-27(23)25/h4-18,20H,3,19,21H2,1-2H3,(H,33,35)/b32-20-.
What are the key properties of N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide?
N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide has a molecular weight of 475.59 g/mol, XLogP of 6.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-methyl-1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 92659209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).