4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide

C18H26N4O3 — CID 24623661

IUPAC4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)CON=C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H26N4O3/c1-18(2,3)20-16(23)13-25-21-15-9-11-22(12-10-15)17(24)19-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyYOMAOYIMXXUSGM-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.60
Rot. Bonds4

About 4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide

4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide (PubChem CID 24623661) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
PubChem CID24623661
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)CON=C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C18H26N4O3/c1-18(2,3)20-16(23)13-25-21-15-9-11-22(12-10-15)17(24)19-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,19,24)(H,20,23)
InChIKeyYOMAOYIMXXUSGM-UHFFFAOYSA-N
XLogP2.60
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.60
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

4-[2-(2,6-dimethylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623620
4-[2-oxo-2-(4-propan-2-ylanilino)ethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 18206718
4-[2-(4-methylsulfanylanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 18209184
4-(2-oxo-2-piperidin-1-ylethoxy)imino-N-phenylpiperidine-1-carboxamide
CID 24623645
4-[2-(2-ethoxyanilino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide
CID 24623627
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxyimino]-N-phenylpiperidine-1-carboxamide
CID 24623669
4-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]oxyimino-N-phenylpiperidine-1-carboxamide
CID 18226822
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034583
4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide
CID 110290716
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide (CID 24623661) is 4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide is CC(C)(C)NC(=O)CON=C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
The InChIKey is YOMAOYIMXXUSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-18(2,3)20-16(23)13-25-21-15-9-11-22(12-10-15)17(24)19-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,19,24)(H,20,23).
What are the key properties of 4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide?
4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)-2-oxoethoxy]imino-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 24623661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).