N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide

C26H30N2O2 — CID 110524880

IUPACN-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
SMILESCCCCCCCOc1ccccc1/C=N\NC(=O)c1c(C)ccc2ccccc12
InChIInChI=1S/C26H30N2O2/c1-3-4-5-6-11-18-30-24-15-10-8-13-22(24)19-27-28-26(29)25-20(2)16-17-21-12-7-9-14-23(21)25/h7-10,12-17,19H,3-6,11,18H2,1-2H3,(H,28,29)/b27-19-
InChIKeyQCAUVTIPMFFFPW-DIBXZPPDSA-N
MW402.54 g/mol
LogP6.26
Rot. Bonds10

About N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide

N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide (PubChem CID 110524880) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
PubChem CID110524880
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
SMILESCCCCCCCOc1ccccc1/C=N\NC(=O)c1c(C)ccc2ccccc12
InChIInChI=1S/C26H30N2O2/c1-3-4-5-6-11-18-30-24-15-10-8-13-22(24)19-27-28-26(29)25-20(2)16-17-21-12-7-9-14-23(21)25/h7-10,12-17,19H,3-6,11,18H2,1-2H3,(H,28,29)/b27-19-
InChIKeyQCAUVTIPMFFFPW-DIBXZPPDSA-N
XLogP6.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide
CID 9499718
N-[(Z)-anthracen-9-ylmethylideneamino]-3,4,5-tridodecoxybenzamide
CID 122366564
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524775
N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477
1-methyl-3-[(E)-(2-pentoxyphenyl)methylideneamino]thiourea
CID 110338496
2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 110524912
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide
CID 110524819
2-(4-chlorophenyl)-N-[(Z)-(2-heptoxyphenyl)methylideneamino]acetamide
CID 110515792
5-bromo-2-hydroxy-N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 3538780
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The IUPAC name of N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide (CID 110524880) is N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide is CCCCCCCOc1ccccc1/C=N\NC(=O)c1c(C)ccc2ccccc12.
What is the InChIKey of N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
The InChIKey is QCAUVTIPMFFFPW-DIBXZPPDSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-3-4-5-6-11-18-30-24-15-10-8-13-22(24)19-27-28-26(29)25-20(2)16-17-21-12-7-9-14-23(21)25/h7-10,12-17,19H,3-6,11,18H2,1-2H3,(H,28,29)/b27-19-.
What are the key properties of N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide?
N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 6.26, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-heptoxyphenyl)methylideneamino]-2-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 110524880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).