N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide

C19H19N3O2 — CID 5001701

IUPACN-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)NN=Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-13(2)24-18-10-6-4-8-16(18)19(23)22-21-12-14-11-20-17-9-5-3-7-15(14)17/h3-13,20H,1-2H3,(H,22,23)
InChIKeyRQCMSHFYQMKEFR-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.72
Rot. Bonds5

About N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide

N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide (PubChem CID 5001701) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide
PubChem CID5001701
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)NN=Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-13(2)24-18-10-6-4-8-16(18)19(23)22-21-12-14-11-20-17-9-5-3-7-15(14)17/h3-13,20H,1-2H3,(H,22,23)
InChIKeyRQCMSHFYQMKEFR-UHFFFAOYSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

5-bromo-N-[(Z)-1H-indol-3-ylmethylideneamino]-2-propan-2-yloxybenzamide
CID 136843557
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(trifluoromethoxy)benzamide
CID 135804189
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
2-fluoro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135683096
N-(1H-indol-3-ylmethylideneamino)-3-(4-propan-2-yloxyphenyl)-1H-pyrazole-5-carboxamide
CID 1390898
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135715615
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 5052209
2-benzamido-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135479703
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide
CID 42991298
N-(1H-indol-3-ylmethylideneamino)-5-propan-2-ylthiophene-3-carboxamide
CID 4190565
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide (CID 5001701) is N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide is CC(C)Oc1ccccc1C(=O)NN=Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide?
The InChIKey is RQCMSHFYQMKEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(2)24-18-10-6-4-8-16(18)19(23)22-21-12-14-11-20-17-9-5-3-7-15(14)17/h3-13,20H,1-2H3,(H,22,23).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide?
N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide has a molecular weight of 321.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 5001701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).