N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide

C25H23N3O2 — CID 126150640

IUPACN-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C25H23N3O2/c1-30-22-13-11-19(12-14-22)15-25(29)27-26-16-21-18-28(17-20-7-3-2-4-8-20)24-10-6-5-9-23(21)24/h2-14,16,18H,15,17H2,1H3,(H,27,29)/b26-16-
InChIKeyKRRHQMLUULRXSY-QQXSKIMKSA-N
MW397.48 g/mol
LogP4.39
Rot. Bonds7

About N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide

N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 126150640) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID126150640
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C25H23N3O2/c1-30-22-13-11-19(12-14-22)15-25(29)27-26-16-21-18-28(17-20-7-3-2-4-8-20)24-10-6-5-9-23(21)24/h2-14,16,18H,15,17H2,1H3,(H,27,29)/b26-16-
InChIKeyKRRHQMLUULRXSY-QQXSKIMKSA-N
XLogP4.39
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.39
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'}

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Related Compounds

N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 19173356
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 98050723
N-[(1-benzylindol-3-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1049161
2-(3,4-dimethoxyphenyl)-N-[(Z)-[1-[(4-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 6243634
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 5458107
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143816
methyl 5-[[3-[(E)-[[2-(3-methoxyphenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylate
CID 126398847
5-[[3-[[(2-phenylacetyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid
CID 4043420
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
CID 5414915
N-[(E)-(1-benzylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 19190815
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126373063
2-(3,4-dimethylphenyl)-N-[[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 5033180

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide (CID 126150640) is N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N/N=C\c2cn(Cc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is KRRHQMLUULRXSY-QQXSKIMKSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-30-22-13-11-19(12-14-22)15-25(29)27-26-16-21-18-28(17-20-7-3-2-4-8-20)24-10-6-5-9-23(21)24/h2-14,16,18H,15,17H2,1H3,(H,27,29)/b26-16-.
What are the key properties of N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 126150640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).