N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide

C18H29N5O — CID 170856208

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C18H29N5O/c1-4-23(5-2)17-8-6-16(7-9-17)14-19-20-18(24)15-22-12-10-21(3)11-13-22/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,20,24)/b19-14+
InChIKeyYPYXRQMNFCUOMX-XMHGGMMESA-N
MW331.46 g/mol
LogP1.23
Rot. Bonds7

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 170856208) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID170856208
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C18H29N5O/c1-4-23(5-2)17-8-6-16(7-9-17)14-19-20-18(24)15-22-12-10-21(3)11-13-22/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,20,24)/b19-14+
InChIKeyYPYXRQMNFCUOMX-XMHGGMMESA-N
XLogP1.23
TPSA51.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.23
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

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[[4-(diethylamino)phenyl]methylideneamino]acetamide
CID 3766448
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 5406234
1,3-bis[(E)-[4-(diethylamino)phenyl]methylideneamino]urea
CID 5335044
N-[(Z)-(4-methylphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)propanamide
CID 5407042
N-(benzylideneamino)-2-(4-ethylpiperazin-1-yl)acetamide
CID 791586
N-[[4-(diethylamino)phenyl]methylideneamino]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 4064611
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-phenylacetamide
CID 5404499
[2-[(2E)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 54599008
N-[[4-(diethylamino)phenyl]methylideneamino]octanamide
CID 3333467
N-[(4-methylphenyl)methylideneamino]-2-piperidin-1-ylacetamide
CID 682337
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(azocan-1-yl)acetamide
CID 5407176
N-[4-(diethylamino)-2-methylphenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 44753800

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide (CID 170856208) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide is CCN(CC)c1ccc(/C=N/NC(=O)CN2CCN(C)CC2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is YPYXRQMNFCUOMX-XMHGGMMESA-N. The full InChI is InChI=1S/C18H29N5O/c1-4-23(5-2)17-8-6-16(7-9-17)14-19-20-18(24)15-22-12-10-21(3)11-13-22/h6-9,14H,4-5,10-13,15H2,1-3H3,(H,20,24)/b19-14+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 170856208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).