N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide

C24H21N3O2 — CID 137029716

IUPACN-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide
SMILESCOc1cccc2c(/C=N/c3ccc(NC(C)=O)cc3)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C24H21N3O2/c1-16(28)26-19-13-11-18(12-14-19)25-15-21-20-9-6-10-22(29-2)24(20)27-23(21)17-7-4-3-5-8-17/h3-15,27H,1-2H3,(H,26,28)/b25-15+
InChIKeyXJGNUNODDPRZEI-MFKUBSTISA-N
MW383.45 g/mol
LogP5.55
Rot. Bonds5

About N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide

N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide (PubChem CID 137029716) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide
PubChem CID137029716
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC NameN-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide
SMILESCOc1cccc2c(/C=N/c3ccc(NC(C)=O)cc3)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C24H21N3O2/c1-16(28)26-19-13-11-18(12-14-19)25-15-21-20-9-6-10-22(29-2)24(20)27-23(21)17-7-4-3-5-8-17/h3-15,27H,1-2H3,(H,26,28)/b25-15+
InChIKeyXJGNUNODDPRZEI-MFKUBSTISA-N
XLogP5.55
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide
CID 137029695
2-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-N-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 137173889
4-[(4-acetamidophenyl)iminomethyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 1354025
N-cyclohexyl-1-(7-methoxy-2-phenyl-1H-indol-3-yl)methanimine
CID 137062424
4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135614167
N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-2,4-dinitroaniline
CID 137062422
N-[4-[(3,4,5-trimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 694284
4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol
CID 137107988
N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide
CID 135441253
N-[4-[(2-methoxyphenyl)iminomethyl]phenyl]acetamide
CID 102509631
N-[4-[(2,4-dimethoxyphenyl)methylideneamino]phenyl]acetamide
CID 690776
N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide
CID 3957636

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide (CID 137029716) is N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide is COc1cccc2c(/C=N/c3ccc(NC(C)=O)cc3)c(-c3ccccc3)[nH]c12.
What is the InChIKey of N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide?
The InChIKey is XJGNUNODDPRZEI-MFKUBSTISA-N. The full InChI is InChI=1S/C24H21N3O2/c1-16(28)26-19-13-11-18(12-14-19)25-15-21-20-9-6-10-22(29-2)24(20)27-23(21)17-7-4-3-5-8-17/h3-15,27H,1-2H3,(H,26,28)/b25-15+.
What are the key properties of N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide?
N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide has a molecular weight of 383.45 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 137029716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).