N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide

C23H30N4O2 — CID 108511024

IUPACN'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C23H30N4O2/c1-4-18-5-7-19(8-6-18)17(2)24-22(28)23(29)25-20-9-11-21(12-10-20)27-15-13-26(3)14-16-27/h5-12,17H,4,13-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyFNORASGOAGVJQK-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.82
Rot. Bonds5

About N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide

N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (PubChem CID 108511024) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
PubChem CID108511024
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1
InChIInChI=1S/C23H30N4O2/c1-4-18-5-7-19(8-6-18)17(2)24-22(28)23(29)25-20-9-11-21(12-10-20)27-15-13-26(3)14-16-27/h5-12,17H,4,13-16H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyFNORASGOAGVJQK-UHFFFAOYSA-N
XLogP2.82
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethylphenyl)-3-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]thiourea
CID 100725293
N-(3,5-dimethylphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511070
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-ethylphenyl)oxamide
CID 30642863
N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104
N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108505469
[(1S)-1-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethyl]carbamic acid
CID 141139652
N-[4-(4-methylpiperazin-1-yl)phenyl]-N',N'-bis(2-methylpropyl)oxamide
CID 108527599
N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510959
N-cyclopentyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108505990
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylanilino)acetamide
CID 109007895
N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108511055

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The IUPAC name of N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide (CID 108511024) is N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide.
What is the SMILES notation for N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The canonical SMILES for N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is CCc1ccc(C(C)NC(=O)C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1.
What is the InChIKey of N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
The InChIKey is FNORASGOAGVJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-4-18-5-7-19(8-6-18)17(2)24-22(28)23(29)25-20-9-11-21(12-10-20)27-15-13-26(3)14-16-27/h5-12,17H,4,13-16H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide?
N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide has a molecular weight of 394.52 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide is sourced from PubChem (CID 108511024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).