N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide

C19H30N3O2+ — CID 2289724

IUPACN'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCCC[C@@H]2CCC[NH2+]C2)cc1
InChIInChI=1S/C19H29N3O2/c1-2-15-8-10-17(11-9-15)22-19(24)18(23)21-13-4-3-6-16-7-5-12-20-14-16/h8-11,16,20H,2-7,12-14H2,1H3,(H,21,23)(H,22,24)/p+1/t16-/m1/s1
InChIKeyUXBIMYHPJJIFKY-MRXNPFEDSA-O
MW332.47 g/mol
LogP1.45
Rot. Bonds7

About N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide

N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide (PubChem CID 2289724) has the molecular formula C19H30N3O2+ and a molecular weight of 332.47 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide
PubChem CID2289724
Molecular FormulaC19H30N3O2+
Molecular Weight332.47 g/mol
Exact Mass332.23
IUPAC NameN'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCCC[C@@H]2CCC[NH2+]C2)cc1
InChIInChI=1S/C19H29N3O2/c1-2-15-8-10-17(11-9-15)22-19(24)18(23)21-13-4-3-6-16-7-5-12-20-14-16/h8-11,16,20H,2-7,12-14H2,1H3,(H,21,23)(H,22,24)/p+1/t16-/m1/s1
InChIKeyUXBIMYHPJJIFKY-MRXNPFEDSA-O
XLogP1.45
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethylphenyl)-N-(piperidin-1-ium-4-ylmethyl)oxamide
CID 7471195
N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide
CID 108522284
N'-(4-ethylphenyl)-N-(piperidin-4-ylmethyl)oxamide
CID 3148496
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide
CID 95346932
2-(4-acetamidophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 38857062
N'-(4-ethylphenyl)-N-prop-2-enyloxamide
CID 7541573
N'-(4-ethylphenyl)-N-(4-methylcyclohexyl)oxamide
CID 124506867
N-[4-(4-cyclobutylbutyl)phenyl]acetamide
CID 130280678
N-octyl-N'-[4-[[4-(2-oxopropanoylamino)phenyl]methyl]phenyl]oxamide
CID 135298855
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140027

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide?
The IUPAC name of N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide (CID 2289724) is N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide.
What is the SMILES notation for N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide?
The canonical SMILES for N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide is CCc1ccc(NC(=O)C(=O)NCCCC[C@@H]2CCC[NH2+]C2)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide?
The InChIKey is UXBIMYHPJJIFKY-MRXNPFEDSA-O. The full InChI is InChI=1S/C19H29N3O2/c1-2-15-8-10-17(11-9-15)22-19(24)18(23)21-13-4-3-6-16-7-5-12-20-14-16/h8-11,16,20H,2-7,12-14H2,1H3,(H,21,23)(H,22,24)/p+1/t16-/m1/s1.
What are the key properties of N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide?
N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide has a molecular weight of 332.47 g/mol, XLogP of 1.45, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N-[4-[(3R)-piperidin-1-ium-3-yl]butyl]oxamide is sourced from PubChem (CID 2289724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).