N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide

C17H24N2O2 — CID 112997525

IUPACN-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)CNC(=O)C1CCC1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)13-9-4-5-10-14(13)19-15(20)11-18-16(21)12-7-6-8-12/h4-5,9-10,12H,6-8,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOYJRHEOQSSNPHH-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.84
Rot. Bonds4

About N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide

N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide (PubChem CID 112997525) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide
PubChem CID112997525
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)CNC(=O)C1CCC1
InChIInChI=1S/C17H24N2O2/c1-17(2,3)13-9-4-5-10-14(13)19-15(20)11-18-16(21)12-7-6-8-12/h4-5,9-10,12H,6-8,11H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOYJRHEOQSSNPHH-UHFFFAOYSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
N-[2-(2-chloroanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112997775
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998571
N-(2-tert-butylphenyl)-2-(cyclopropylamino)acetamide
CID 54773215
N-(2-tert-butylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78912848
tert-butyl N-[2-[2-(cyclopentanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917443
N-[2-(2-methoxyanilino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687182
1-N-(2-tert-butylphenyl)-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144561
N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113047094
N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]cyclohexanecarboxamide
CID 112998973
N-[2-(2-tert-butylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112997518
N-(2-tert-butylphenyl)-1-methylpiperidine-4-carboxamide
CID 110693521

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide (CID 112997525) is N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide is CC(C)(C)c1ccccc1NC(=O)CNC(=O)C1CCC1.
What is the InChIKey of N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide?
The InChIKey is OYJRHEOQSSNPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-17(2,3)13-9-4-5-10-14(13)19-15(20)11-18-16(21)12-7-6-8-12/h4-5,9-10,12H,6-8,11H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide?
N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylanilino)-2-oxoethyl]cyclobutanecarboxamide is sourced from PubChem (CID 112997525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).