4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide

C22H26N2O2 — CID 133169944

IUPAC4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide
SMILESCCCOc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H26N2O2/c1-3-14-26-21-12-10-18(11-13-21)22(25)24-23-16(2)19-9-8-17-6-4-5-7-20(17)15-19/h8-13,15H,3-7,14H2,1-2H3,(H,24,25)/b23-16+
InChIKeyYMLZZTCNBMFIIU-XQNSMLJCSA-N
MW350.46 g/mol
LogP4.51
Rot. Bonds6

About 4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide

4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide (PubChem CID 133169944) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide
PubChem CID133169944
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide
SMILESCCCOc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C22H26N2O2/c1-3-14-26-21-12-10-18(11-13-21)22(25)24-23-16(2)19-9-8-17-6-4-5-7-20(17)15-19/h8-13,15H,3-7,14H2,1-2H3,(H,24,25)/b23-16+
InChIKeyYMLZZTCNBMFIIU-XQNSMLJCSA-N
XLogP4.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
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

N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169925
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169937
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3548730
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide
CID 137268526
1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea
CID 91942630
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 5139408
(Z)-3-(4-propoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid
CID 83951899
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 136627448
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide?
The IUPAC name of 4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide (CID 133169944) is 4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide.
What is the SMILES notation for 4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide?
The canonical SMILES for 4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide is CCCOc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide?
The InChIKey is YMLZZTCNBMFIIU-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-14-26-21-12-10-18(11-13-21)22(25)24-23-16(2)19-9-8-17-6-4-5-7-20(17)15-19/h8-13,15H,3-7,14H2,1-2H3,(H,24,25)/b23-16+.
What are the key properties of 4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide?
4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide has a molecular weight of 350.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide is sourced from PubChem (CID 133169944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).