N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide

C29H35N3O4 — CID 4281813

IUPACN-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NN=Cc2ccc(N(CC)Cc3ccccc3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C29H35N3O4/c1-5-32(21-23-12-10-9-11-13-23)25-16-14-22(15-17-25)20-30-31-29(33)24-18-26(34-6-2)28(36-8-4)27(19-24)35-7-3/h9-20H,5-8,21H2,1-4H3,(H,31,33)
InChIKeyOGPDDHDEKYVJIN-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.67
Rot. Bonds13

About N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide

N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide (PubChem CID 4281813) has the molecular formula C29H35N3O4 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide
PubChem CID4281813
Molecular FormulaC29H35N3O4
Molecular Weight489.62 g/mol
Exact Mass489.26
IUPAC NameN-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NN=Cc2ccc(N(CC)Cc3ccccc3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C29H35N3O4/c1-5-32(21-23-12-10-9-11-13-23)25-16-14-22(15-17-25)20-30-31-29(33)24-18-26(34-6-2)28(36-8-4)27(19-24)35-7-3/h9-20H,5-8,21H2,1-4H3,(H,31,33)
InChIKeyOGPDDHDEKYVJIN-UHFFFAOYSA-N
XLogP5.67
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 6901552
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 7966329
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-nitrobenzamide
CID 110506592
methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
CID 2361352
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6066854
N-(benzylideneamino)-3,4,5-tris(phenylmethoxy)benzamide
CID 4523906
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-1-methylindole-2-carboxamide
CID 110526717
[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]thiourea
CID 6902327
N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 2330939
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499

Frequently Asked Questions

What is the IUPAC name of N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide (CID 4281813) is N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NN=Cc2ccc(N(CC)Cc3ccccc3)cc2)cc(OCC)c1OCC.
What is the InChIKey of N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide?
The InChIKey is OGPDDHDEKYVJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4/c1-5-32(21-23-12-10-9-11-13-23)25-16-14-22(15-17-25)20-30-31-29(33)24-18-26(34-6-2)28(36-8-4)27(19-24)35-7-3/h9-20H,5-8,21H2,1-4H3,(H,31,33).
What are the key properties of N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide?
N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide has a molecular weight of 489.62 g/mol, XLogP of 5.67, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 4281813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).