N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide

C21H26N4O2 — CID 5432105

IUPACN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C21H26N4O2/c1-4-20(26)23-18-11-9-17(10-12-18)21(27)24-22-15-16-7-13-19(14-8-16)25(5-2)6-3/h7-15H,4-6H2,1-3H3,(H,23,26)(H,24,27)/b22-15-
InChIKeyRTAPZIWBCJANQF-JCMHNJIXSA-N
MW366.47 g/mol
LogP3.65
Rot. Bonds8

About N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide

N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide (PubChem CID 5432105) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
PubChem CID5432105
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C21H26N4O2/c1-4-20(26)23-18-11-9-17(10-12-18)21(27)24-22-15-16-7-13-19(14-8-16)25(5-2)6-3/h7-15H,4-6H2,1-3H3,(H,23,26)(H,24,27)/b22-15-
InChIKeyRTAPZIWBCJANQF-JCMHNJIXSA-N
XLogP3.65
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
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)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
CID 119057126
4-(cyclohexanecarbonylamino)-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 4509760
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-4-sulfinamoylbenzamide
CID 164880540
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
4-(propanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980480

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide?
The IUPAC name of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide (CID 5432105) is N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide?
The InChIKey is RTAPZIWBCJANQF-JCMHNJIXSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-4-20(26)23-18-11-9-17(10-12-18)21(27)24-22-15-16-7-13-19(14-8-16)25(5-2)6-3/h7-15H,4-6H2,1-3H3,(H,23,26)(H,24,27)/b22-15-.
What are the key properties of N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide?
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide has a molecular weight of 366.47 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide is sourced from PubChem (CID 5432105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).