2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide

C24H21N3O3 — CID 126388972

IUPAC2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide
SMILESCOc1cccc(Oc2ccc(/N=C/c3cn(CC(N)=O)c4ccccc34)cc2)c1
InChIInChI=1S/C24H21N3O3/c1-29-20-5-4-6-21(13-20)30-19-11-9-18(10-12-19)26-14-17-15-27(16-24(25)28)23-8-3-2-7-22(17)23/h2-15H,16H2,1H3,(H2,25,28)/b26-14+
InChIKeyAWDNSCOXFJZDKL-VULFUBBASA-N
MW399.45 g/mol
LogP4.68
Rot. Bonds7

About 2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide

2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide (PubChem CID 126388972) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide
PubChem CID126388972
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide
SMILESCOc1cccc(Oc2ccc(/N=C/c3cn(CC(N)=O)c4ccccc34)cc2)c1
InChIInChI=1S/C24H21N3O3/c1-29-20-5-4-6-21(13-20)30-19-11-9-18(10-12-19)26-14-17-15-27(16-24(25)28)23-8-3-2-7-22(17)23/h2-15H,16H2,1H3,(H2,25,28)/b26-14+
InChIKeyAWDNSCOXFJZDKL-VULFUBBASA-N
XLogP4.68
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide
CID 126389976
2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide
CID 126389678
2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide
CID 126389439
2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide
CID 126389420
3-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzoic acid
CID 126391706
ethyl 4-[(1-ethylindol-3-yl)methylideneamino]benzoate
CID 23476830
4-[(1-ethylindol-3-yl)methylideneamino]benzoic acid
CID 23476815
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
N-[[1-(3-amino-3-oxopropyl)indol-3-yl]methylideneamino]-2,4-dimethoxybenzamide
CID 3973281
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 3342706
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 5035642

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide?
The IUPAC name of 2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide (CID 126388972) is 2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide is COc1cccc(Oc2ccc(/N=C/c3cn(CC(N)=O)c4ccccc34)cc2)c1.
What is the InChIKey of 2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide?
The InChIKey is AWDNSCOXFJZDKL-VULFUBBASA-N. The full InChI is InChI=1S/C24H21N3O3/c1-29-20-5-4-6-21(13-20)30-19-11-9-18(10-12-19)26-14-17-15-27(16-24(25)28)23-8-3-2-7-22(17)23/h2-15H,16H2,1H3,(H2,25,28)/b26-14+.
What are the key properties of 2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide?
2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide is sourced from PubChem (CID 126388972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).