N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide

C20H24N2O — CID 112986646

IUPACN-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
SMILESCC(C)c1ccc(Nc2ccc(NC(=O)C3CCC3)cc2)cc1
InChIInChI=1S/C20H24N2O/c1-14(2)15-6-8-17(9-7-15)21-18-10-12-19(13-11-18)22-20(23)16-4-3-5-16/h6-14,16,21H,3-5H2,1-2H3,(H,22,23)
InChIKeyCGLYSTNMOPNJJF-UHFFFAOYSA-N
MW308.43 g/mol
LogP5.29
Rot. Bonds5

About N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide

N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide (PubChem CID 112986646) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
PubChem CID112986646
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide
SMILESCC(C)c1ccc(Nc2ccc(NC(=O)C3CCC3)cc2)cc1
InChIInChI=1S/C20H24N2O/c1-14(2)15-6-8-17(9-7-15)21-18-10-12-19(13-11-18)22-20(23)16-4-3-5-16/h6-14,16,21H,3-5H2,1-2H3,(H,22,23)
InChIKeyCGLYSTNMOPNJJF-UHFFFAOYSA-N
XLogP5.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-propan-2-ylphenyl)cyclohexanecarboxamide
CID 849011
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[6-(4-propan-2-ylanilino)-3-pyridinyl]cyclobutanecarboxamide
CID 113017854
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145314
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
CID 46428935
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
(3S)-1,1-dioxo-N-(4-propan-2-ylphenyl)thiolane-3-carboxamide
CID 51463150
N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]cyclohexanecarboxamide
CID 112997174
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197
(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
CID 94161545
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide (CID 112986646) is N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide is CC(C)c1ccc(Nc2ccc(NC(=O)C3CCC3)cc2)cc1.
What is the InChIKey of N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide?
The InChIKey is CGLYSTNMOPNJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-14(2)15-6-8-17(9-7-15)21-18-10-12-19(13-11-18)22-20(23)16-4-3-5-16/h6-14,16,21H,3-5H2,1-2H3,(H,22,23).
What are the key properties of N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide?
N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide has a molecular weight of 308.43 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propan-2-ylanilino)phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 112986646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).