methyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate

C19H19N3O2 — CID 5349909

IUPACmethyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1c(C)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-14-17(12-20-21-19(23)24-2)16-10-6-7-11-18(16)22(14)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,21,23)/b20-12-
InChIKeySMUNOQDXNSOEFD-NDENLUEZSA-N
MW321.38 g/mol
LogP3.69
Rot. Bonds4

About methyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate

methyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate (PubChem CID 5349909) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate
PubChem CID5349909
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namemethyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate
SMILESCOC(=O)N/N=C\c1c(C)n(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-14-17(12-20-21-19(23)24-2)16-10-6-7-11-18(16)22(14)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,21,23)/b20-12-
InChIKeySMUNOQDXNSOEFD-NDENLUEZSA-N
XLogP3.69
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.69
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-Butylcarbazole
CID 73872
methyl (2E)-2-{[1-(2-fluorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6881378
Ethyl 2-((1H-indol-3-YL)methylene)hydrazinecarboxylate
CID 135400614
2-(1-benzyl-1H-indol-3-yl)-N,N-dimethylethanamine
CID 44397102
ethyl 2-[3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanoyl]hydrazinecarboxylate
CID 1602005
N'-acetyl-3-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)propanehydrazide
CID 3791031
ethyl (2E)-2-{[1-(4-fluorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6878918
N-[(E)-(1-methylindol-3-yl)methylideneamino]aniline
CID 9669493
methyl (2E)-2-{[1-(2-chlorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6864443
methyl (2E)-2-{[1-(2,4-dichlorobenzyl)-1H-indol-3-yl]methylidene}hydrazinecarboxylate
CID 6880796
methyl (2E)-2-{[2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrol-3-yl]methylidene}hydrazinecarboxylate
CID 6883662
Dimethyl-[2-(1-phenethyl-1H-indol-3-yl)-ethyl]-amine
CID 3028955

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate (CID 5349909) is methyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate is COC(=O)N/N=C\c1c(C)n(Cc2ccccc2)c2ccccc12.
What is the InChIKey of methyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate?
The InChIKey is SMUNOQDXNSOEFD-NDENLUEZSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-17(12-20-21-19(23)24-2)16-10-6-7-11-18(16)22(14)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,21,23)/b20-12-.
What are the key properties of methyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate?
methyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate has a molecular weight of 321.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-(1-benzyl-2-methylindol-3-yl)methylideneamino]carbamate is sourced from PubChem (CID 5349909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).