N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide

C20H21N3O2 — CID 92658950

IUPACN-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-3-12-25-17-10-8-15(9-11-17)20(24)22-21-13-16-14-23(2)19-7-5-4-6-18(16)19/h4-11,13-14H,3,12H2,1-2H3,(H,22,24)/b21-13-
InChIKeyQPCIDJWFHSCQLQ-BKUYFWCQSA-N
MW335.41 g/mol
LogP3.73
Rot. Bonds6

About N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide

N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide (PubChem CID 92658950) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide
PubChem CID92658950
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-3-12-25-17-10-8-15(9-11-17)20(24)22-21-13-16-14-23(2)19-7-5-4-6-18(16)19/h4-11,13-14H,3,12H2,1-2H3,(H,22,24)/b21-13-
InChIKeyQPCIDJWFHSCQLQ-BKUYFWCQSA-N
XLogP3.73
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.73
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-[(Z)-(1-prop-2-enylindol-3-yl)methylideneamino]-4-propoxybenzamide
CID 92658957
N-[(1-benzylindol-3-yl)methylideneamino]-4-butoxybenzamide
CID 3483141
4-iodo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 53371356
N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92659049
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 6865589
N-[(E)-(1-methylindol-3-yl)methylideneamino]-2,1,3-benzoxadiazole-5-carboxamide
CID 45109248
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
N-[(E)-[1-(3-phenoxypropyl)indol-3-yl]methylideneamino]pyridine-4-carboxamide
CID 25251365
N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 133169392
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
4-propoxy-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 133169686

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide (CID 92658950) is N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C\c2cn(C)c3ccccc23)cc1.
What is the InChIKey of N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide?
The InChIKey is QPCIDJWFHSCQLQ-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-12-25-17-10-8-15(9-11-17)20(24)22-21-13-16-14-23(2)19-7-5-4-6-18(16)19/h4-11,13-14H,3,12H2,1-2H3,(H,22,24)/b21-13-.
What are the key properties of N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide?
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide has a molecular weight of 335.41 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-methylindol-3-yl)methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 92658950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).