N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide

C27H36N4O4 — CID 2915953

IUPACN-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C27H36N4O4/c1-5-35-23-12-10-22(11-13-23)29-25(33)24(32)28-14-15-30-16-18-31(19-17-30)26(34)20-6-8-21(9-7-20)27(2,3)4/h6-13H,5,14-19H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyIHBXPRFDPGUJPB-UHFFFAOYSA-N
MW480.61 g/mol
LogP2.90
Rot. Bonds7

About N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide

N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide (PubChem CID 2915953) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide
PubChem CID2915953
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC NameN-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
InChIInChI=1S/C27H36N4O4/c1-5-35-23-12-10-22(11-13-23)29-25(33)24(32)28-14-15-30-16-18-31(19-17-30)26(34)20-6-8-21(9-7-20)27(2,3)4/h6-13H,5,14-19H2,1-4H3,(H,28,32)(H,29,33)
InChIKeyIHBXPRFDPGUJPB-UHFFFAOYSA-N
XLogP2.90
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046298
4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 138111121
N'-(4-ethoxyphenyl)-N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]oxamide
CID 6737810
N'-(4-tert-butylphenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517566
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 80661218
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(4-ethoxyphenyl)oxamide
CID 42389794
(4-ethoxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571371
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
4-(4-ethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812417

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide?
The IUPAC name of N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide (CID 2915953) is N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide?
The InChIKey is IHBXPRFDPGUJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-5-35-23-12-10-22(11-13-23)29-25(33)24(32)28-14-15-30-16-18-31(19-17-30)26(34)20-6-8-21(9-7-20)27(2,3)4/h6-13H,5,14-19H2,1-4H3,(H,28,32)(H,29,33).
What are the key properties of N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide?
N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide has a molecular weight of 480.61 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 2915953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).