N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide

C21H32N2O2 — CID 113059086

IUPACN-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H32N2O2/c1-16(24)23(19-12-10-18(11-13-19)21(2,3)4)15-14-22-20(25)17-8-6-5-7-9-17/h10-13,17H,5-9,14-15H2,1-4H3,(H,22,25)
InChIKeyZYCIQMUCYOUAHL-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.03
Rot. Bonds5

About N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide

N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide (PubChem CID 113059086) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide
PubChem CID113059086
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCCC1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H32N2O2/c1-16(24)23(19-12-10-18(11-13-19)21(2,3)4)15-14-22-20(25)17-8-6-5-7-9-17/h10-13,17H,5-9,14-15H2,1-4H3,(H,22,25)
InChIKeyZYCIQMUCYOUAHL-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]oxolane-2-carboxamide
CID 113059087
N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
CID 113063535
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide
CID 113062418
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide
CID 113061127
N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide
CID 113062722
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclobutanecarboxamide
CID 113062438
N-[2-(N-acetyl-2-ethylanilino)ethyl]cyclohexanecarboxamide
CID 113058289
N-[2-(N-acetyl-4-bromoanilino)ethyl]oxane-4-carboxamide
CID 113060376
N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide
CID 113059565
N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061599
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide (CID 113059086) is N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide is CC(=O)N(CCNC(=O)C1CCCCC1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide?
The InChIKey is ZYCIQMUCYOUAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-16(24)23(19-12-10-18(11-13-19)21(2,3)4)15-14-22-20(25)17-8-6-5-7-9-17/h10-13,17H,5-9,14-15H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide?
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide has a molecular weight of 344.50 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113059086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).