N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide

C20H25N3O — CID 824175

IUPACN-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide
SMILESCCN(CC)c1ccc(C=NNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O/c1-3-23(4-2)19-13-10-18(11-14-19)16-21-22-20(24)15-12-17-8-6-5-7-9-17/h5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,22,24)
InChIKeyHVYJDKHLWLZZMR-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.62
Rot. Bonds8

About N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide

N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide (PubChem CID 824175) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide
PubChem CID824175
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide
SMILESCCN(CC)c1ccc(C=NNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C20H25N3O/c1-3-23(4-2)19-13-10-18(11-14-19)16-21-22-20(24)15-12-17-8-6-5-7-9-17/h5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,22,24)
InChIKeyHVYJDKHLWLZZMR-UHFFFAOYSA-N
XLogP3.62
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
CID 2361352
[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54599008
(2R)-N-[[4-(diethylamino)phenyl]methylideneamino]-2-hydroxy-2-phenylacetamide
CID 828197
1-benzyl-3-[(Z)-[4-(diethylamino)phenyl]methylideneamino]thiourea
CID 5410280
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 6066854
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5414254
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-pyridin-2-ylsulfanylacetamide
CID 5400523

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide (CID 824175) is N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide is CCN(CC)c1ccc(C=NNC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide?
The InChIKey is HVYJDKHLWLZZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-23(4-2)19-13-10-18(11-14-19)16-21-22-20(24)15-12-17-8-6-5-7-9-17/h5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,22,24).
What are the key properties of N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide?
N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide has a molecular weight of 323.44 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylamino)phenyl]methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 824175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).