N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

C22H29N4O2+ — CID 7955819

IUPACN-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
SMILESCCOc1ccc(/C=N\NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-2-28-21-10-8-19(9-11-21)18-23-24-22(27)12-13-25-14-16-26(17-15-25)20-6-4-3-5-7-20/h3-11,18H,2,12-17H2,1H3,(H,24,27)/p+1/b23-18-
InChIKeyRVPSMWAVZAIOGI-NKFKGCMQSA-O
MW381.50 g/mol
LogP1.33
Rot. Bonds8

About N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide (PubChem CID 7955819) has the molecular formula C22H29N4O2+ and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
PubChem CID7955819
Molecular FormulaC22H29N4O2+
Molecular Weight381.50 g/mol
Exact Mass381.23
IUPAC NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
SMILESCCOc1ccc(/C=N\NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N4O2/c1-2-28-21-10-8-19(9-11-21)18-23-24-22(27)12-13-25-14-16-26(17-15-25)20-6-4-3-5-7-20/h3-11,18H,2,12-17H2,1H3,(H,24,27)/p+1/b23-18-
InChIKeyRVPSMWAVZAIOGI-NKFKGCMQSA-O
XLogP1.33
TPSA58.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.33
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-[(3-methoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 2692852
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanehydrazide
CID 9150896
1-(4-ethoxyphenyl)-3-[3-(4-phenylpiperazin-1-ium-1-yl)propanoylamino]thiourea
CID 8614583
3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-thiophen-3-ylmethylideneamino]propanamide
CID 9112890
N-[(Z)-naphthalen-1-ylmethylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 7955742
3-(4-phenylpiperazin-1-ium-1-yl)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]propanamide
CID 7955734
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
CID 7529901
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-ethoxyphenyl)methylideneamino]-4-oxobutanamide
CID 5209302
N-[(Z)-(4-ethoxyphenyl)methylideneamino]octadecanamide
CID 98296453
N-(benzylideneamino)-3-(4-phenylpiperazin-1-yl)propanamide
CID 2692809
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide?
The IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide (CID 7955819) is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide.
What is the SMILES notation for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide?
The canonical SMILES for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide is CCOc1ccc(/C=N\NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide?
The InChIKey is RVPSMWAVZAIOGI-NKFKGCMQSA-O. The full InChI is InChI=1S/C22H28N4O2/c1-2-28-21-10-8-19(9-11-21)18-23-24-22(27)12-13-25-14-16-26(17-15-25)20-6-4-3-5-7-20/h3-11,18H,2,12-17H2,1H3,(H,24,27)/p+1/b23-18-.
What are the key properties of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide?
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide has a molecular weight of 381.50 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide is sourced from PubChem (CID 7955819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).