methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate

C21H23N3O4 — CID 3695535

IUPACmethyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1c(C)n(CCOc2ccccc2OC)c2ccccc12
InChIInChI=1S/C21H23N3O4/c1-15-17(14-22-23-21(25)27-3)16-8-4-5-9-18(16)24(15)12-13-28-20-11-7-6-10-19(20)26-2/h4-11,14H,12-13H2,1-3H3,(H,23,25)
InChIKeyFLFNXHZXKUJPAI-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.73
Rot. Bonds7

About methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate

methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate (PubChem CID 3695535) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate
PubChem CID3695535
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Namemethyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate
SMILESCOC(=O)NN=Cc1c(C)n(CCOc2ccccc2OC)c2ccccc12
InChIInChI=1S/C21H23N3O4/c1-15-17(14-22-23-21(25)27-3)16-8-4-5-9-18(16)24(15)12-13-28-20-11-7-6-10-19(20)26-2/h4-11,14H,12-13H2,1-3H3,(H,23,25)
InChIKeyFLFNXHZXKUJPAI-UHFFFAOYSA-N
XLogP3.73
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-(2,5-dimethylphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 45146926
1-[3-(2-methoxyphenoxy)propyl]-2-methylindole-3-carbaldehyde
CID 2197795
methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 25251887
(2S)-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-(2-methoxyanilino)propanamide
CID 39819226
1-[2-(2-methoxyphenoxy)ethyl]-2-methylindole-3-carbonitrile
CID 951786
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 4673799
N-[(E)-(1-benzyl-2-methylindol-3-yl)methylideneamino]-4-methoxybenzamide
CID 6883031
4-(3,4-dimethoxyphenyl)-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]-4-oxobutanamide
CID 172924330
2,4-dimethoxy-N-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 5135447
N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 126015839
2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 110512126
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 4296010

Frequently Asked Questions

What is the IUPAC name of methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate?
The IUPAC name of methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate (CID 3695535) is methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate.
What is the SMILES notation for methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate?
The canonical SMILES for methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate is COC(=O)NN=Cc1c(C)n(CCOc2ccccc2OC)c2ccccc12.
What is the InChIKey of methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate?
The InChIKey is FLFNXHZXKUJPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15-17(14-22-23-21(25)27-3)16-8-4-5-9-18(16)24(15)12-13-28-20-11-7-6-10-19(20)26-2/h4-11,14H,12-13H2,1-3H3,(H,23,25).
What are the key properties of methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate?
methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate has a molecular weight of 381.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-[2-(2-methoxyphenoxy)ethyl]-2-methylindol-3-yl]methylideneamino]carbamate is sourced from PubChem (CID 3695535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).