N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide

C24H24N2O4 — CID 3660325

IUPACN-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
SMILESCOc1cccc(OCCCOc2ccccc2C=NNC(=O)c2ccccc2)c1
InChIInChI=1S/C24H24N2O4/c1-28-21-12-7-13-22(17-21)29-15-8-16-30-23-14-6-5-11-20(23)18-25-26-24(27)19-9-3-2-4-10-19/h2-7,9-14,17-18H,8,15-16H2,1H3,(H,26,27)
InChIKeyJWUQEZDANMSUPA-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.31
Rot. Bonds10

About N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide

N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide (PubChem CID 3660325) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
PubChem CID3660325
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC NameN-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
SMILESCOc1cccc(OCCCOc2ccccc2C=NNC(=O)c2ccccc2)c1
InChIInChI=1S/C24H24N2O4/c1-28-21-12-7-13-22(17-21)29-15-8-16-30-23-14-6-5-11-20(23)18-25-26-24(27)19-9-3-2-4-10-19/h2-7,9-14,17-18H,8,15-16H2,1H3,(H,26,27)
InChIKeyJWUQEZDANMSUPA-UHFFFAOYSA-N
XLogP4.31
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]-3-phenylurea
CID 3318003
N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 126273932
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
4-methoxy-N-[(Z)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6302836
N-[[3-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 3666073
3-methoxy-N-[(E)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126267926
N-[(Z)-[2-[3-(2-methylphenoxy)propoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 6090639
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
methyl N-[(E)-[2-[3-(2-methoxyphenoxy)propoxy]phenyl]methylideneamino]carbamate
CID 25251887
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6272851
2,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4562741

Frequently Asked Questions

What is the IUPAC name of N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide (CID 3660325) is N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide is COc1cccc(OCCCOc2ccccc2C=NNC(=O)c2ccccc2)c1.
What is the InChIKey of N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide?
The InChIKey is JWUQEZDANMSUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-28-21-12-7-13-22(17-21)29-15-8-16-30-23-14-6-5-11-20(23)18-25-26-24(27)19-9-3-2-4-10-19/h2-7,9-14,17-18H,8,15-16H2,1H3,(H,26,27).
What are the key properties of N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide?
N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide has a molecular weight of 404.47 g/mol, XLogP of 4.31, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 3660325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).