N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide

C25H27N3O3 — CID 6901552

IUPACN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide
SMILESCCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C25H27N3O3/c1-4-28(18-20-8-6-5-7-9-20)22-13-10-19(11-14-22)17-26-27-25(29)21-12-15-23(30-2)24(16-21)31-3/h5-17H,4,18H2,1-3H3,(H,27,29)/b26-17+
InChIKeyKZNIBMDZYRYFLO-YZSQISJMSA-N
MW417.51 g/mol
LogP4.49
Rot. Bonds9

About N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide

N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide (PubChem CID 6901552) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide
PubChem CID6901552
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide
SMILESCCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C25H27N3O3/c1-4-28(18-20-8-6-5-7-9-20)22-13-10-19(11-14-22)17-26-27-25(29)21-12-15-23(30-2)24(16-21)31-3/h5-17H,4,18H2,1-3H3,(H,27,29)/b26-17+
InChIKeyKZNIBMDZYRYFLO-YZSQISJMSA-N
XLogP4.49
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 2330939
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 7966329
N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide
CID 4281813
methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
CID 2361352
3,4-dimethoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6305371
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide
CID 110506592
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-3-methoxybenzamide
CID 6027249
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932965
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide (CID 6901552) is N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide is CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is KZNIBMDZYRYFLO-YZSQISJMSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-4-28(18-20-8-6-5-7-9-20)22-13-10-19(11-14-22)17-26-27-25(29)21-12-15-23(30-2)24(16-21)31-3/h5-17H,4,18H2,1-3H3,(H,27,29)/b26-17+.
What are the key properties of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide?
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 417.51 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 6901552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).