N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide

C17H22N2O3 — CID 113061599

IUPACN-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide
SMILESCC(=O)c1cccc(N(CCNC(=O)C2CCC2)C(C)=O)c1
InChIInChI=1S/C17H22N2O3/c1-12(20)15-7-4-8-16(11-15)19(13(2)21)10-9-18-17(22)14-5-3-6-14/h4,7-8,11,14H,3,5-6,9-10H2,1-2H3,(H,18,22)
InChIKeyKKFMNBBKEFGKFM-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide

N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide (PubChem CID 113061599) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide
PubChem CID113061599
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide
SMILESCC(=O)c1cccc(N(CCNC(=O)C2CCC2)C(C)=O)c1
InChIInChI=1S/C17H22N2O3/c1-12(20)15-7-4-8-16(11-15)19(13(2)21)10-9-18-17(22)14-5-3-6-14/h4,7-8,11,14H,3,5-6,9-10H2,1-2H3,(H,18,22)
InChIKeyKKFMNBBKEFGKFM-UHFFFAOYSA-N
XLogP2.16
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-3-chloroanilino)ethyl]cyclobutanecarboxamide
CID 113059565
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690
N-[2-(N,3-diacetylanilino)ethyl]-2,2-dimethylpropanamide
CID 113061547
N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
CID 113063535
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide
CID 113059086
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide
CID 113061127
N-[2-(N,3-diacetylanilino)ethyl]-2-(3-methylphenyl)acetamide
CID 113061592
N-[2-(N-acetyl-2-bromoanilino)ethyl]cyclohexanecarboxamide
CID 113062722
N-[2-(N-acetyl-2,6-dimethylanilino)ethyl]cyclopropanecarboxamide
CID 113058076
N-[2-(N,3-diacetylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113061572
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclobutanecarboxamide
CID 113062438
N-[2-(N-acetyl-2-ethylanilino)ethyl]cyclohexanecarboxamide
CID 113058289

Frequently Asked Questions

What is the IUPAC name of N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide (CID 113061599) is N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide is CC(=O)c1cccc(N(CCNC(=O)C2CCC2)C(C)=O)c1.
What is the InChIKey of N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide?
The InChIKey is KKFMNBBKEFGKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12(20)15-7-4-8-16(11-15)19(13(2)21)10-9-18-17(22)14-5-3-6-14/h4,7-8,11,14H,3,5-6,9-10H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide?
N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N,3-diacetylanilino)ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 113061599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).