N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide

C20H31N3O3 — CID 166602036

IUPACN-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)CN2CCCC(C(=O)NC(C)(C)C)C2)cc1
InChIInChI=1S/C20H31N3O3/c1-5-26-17-10-8-16(9-11-17)21-18(24)14-23-12-6-7-15(13-23)19(25)22-20(2,3)4/h8-11,15H,5-7,12-14H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyMFGVJGPDNAEQJK-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.65
Rot. Bonds6

About N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide

N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 166602036) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID166602036
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)CN2CCCC(C(=O)NC(C)(C)C)C2)cc1
InChIInChI=1S/C20H31N3O3/c1-5-26-17-10-8-16(9-11-17)21-18(24)14-23-12-6-7-15(13-23)19(25)22-20(2,3)4/h8-11,15H,5-7,12-14H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyMFGVJGPDNAEQJK-UHFFFAOYSA-N
XLogP2.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
CID 166605733
1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide
CID 47088179
N-(4-ethoxyphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642593
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921935
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 166601926
1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43440705
(3R)-1-(2,2-dimethylpropanoyl)-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 94857499
N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909487
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43919760

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 166602036) is N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide is CCOc1ccc(NC(=O)CN2CCCC(C(=O)NC(C)(C)C)C2)cc1.
What is the InChIKey of N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is MFGVJGPDNAEQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-5-26-17-10-8-16(9-11-17)21-18(24)14-23-12-6-7-15(13-23)19(25)22-20(2,3)4/h8-11,15H,5-7,12-14H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide?
N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 166602036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).