N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide

C28H26N2O3 — CID 92658986

IUPACN-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1
InChIInChI=1S/C28H26N2O3/c1-2-17-32-25-15-13-23(14-16-25)28(31)30-29-19-21-7-5-11-26(18-21)33-20-24-10-6-9-22-8-3-4-12-27(22)24/h3-16,18-19H,2,17,20H2,1H3,(H,30,31)/b29-19-
InChIKeyRDCFZQYDWJGRMC-CEUNXORHSA-N
MW438.53 g/mol
LogP5.97
Rot. Bonds9

About N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide

N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide (PubChem CID 92658986) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
PubChem CID92658986
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC NameN-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1
InChIInChI=1S/C28H26N2O3/c1-2-17-32-25-15-13-23(14-16-25)28(31)30-29-19-21-7-5-11-26(18-21)33-20-24-10-6-9-22-8-3-4-12-27(22)24/h3-16,18-19H,2,17,20H2,1H3,(H,30,31)/b29-19-
InChIKeyRDCFZQYDWJGRMC-CEUNXORHSA-N
XLogP5.97
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.97
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)-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 92658857
4-bromo-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 126375379
4-chloro-N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 94847929
4-ethoxy-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 17246375
N-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 133169709
4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 91972520
N-[(E)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-ethoxybenzamide
CID 17246141
N-[(E)-(3-butoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 110340461
N-[2-oxo-2-[2-[(3-phenylmethoxyphenyl)methylidene]hydrazinyl]ethyl]-4-propoxybenzamide
CID 3503130
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195239

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide (CID 92658986) is N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1.
What is the InChIKey of N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide?
The InChIKey is RDCFZQYDWJGRMC-CEUNXORHSA-N. The full InChI is InChI=1S/C28H26N2O3/c1-2-17-32-25-15-13-23(14-16-25)28(31)30-29-19-21-7-5-11-26(18-21)33-20-24-10-6-9-22-8-3-4-12-27(22)24/h3-16,18-19H,2,17,20H2,1H3,(H,30,31)/b29-19-.
What are the key properties of N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide?
N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide has a molecular weight of 438.53 g/mol, XLogP of 5.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 92658986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).