N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide

C18H26N2O3 — CID 113061127

IUPACN-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCC1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-17-9-7-16(8-10-17)20(14(3)21)12-11-19-18(22)15-5-4-6-15/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,19,22)
InChIKeyYYCLKJNFODFCPC-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.74
Rot. Bonds7

About N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide

N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide (PubChem CID 113061127) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide
PubChem CID113061127
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCC1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H26N2O3/c1-13(2)23-17-9-7-16(8-10-17)20(14(3)21)12-11-19-18(22)15-5-4-6-15/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,19,22)
InChIKeyYYCLKJNFODFCPC-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide
CID 113059086
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide
CID 113070738
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]benzamide
CID 113061087
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclobutanecarboxamide
CID 113062438
N-[2-(ethylsulfonylamino)ethyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113061132
N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061599
N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide
CID 113059565
N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
CID 113063535
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]furan-2-carboxamide
CID 113061085
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide
CID 113062418
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]-3,4-difluorobenzamide
CID 113061115

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide (CID 113061127) is N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide is CC(=O)N(CCNC(=O)C1CCC1)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide?
The InChIKey is YYCLKJNFODFCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13(2)23-17-9-7-16(8-10-17)20(14(3)21)12-11-19-18(22)15-5-4-6-15/h7-10,13,15H,4-6,11-12H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide?
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 113061127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).