2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide

C16H24N2O — CID 106661438

IUPAC2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide
SMILESCc1ccc(NC2(C(N)=O)CC(C)(C)CC2C)cc1
InChIInChI=1S/C16H24N2O/c1-11-5-7-13(8-6-11)18-16(14(17)19)10-15(3,4)9-12(16)2/h5-8,12,18H,9-10H2,1-4H3,(H2,17,19)
InChIKeyQXGWWLDTWRIAJQ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.09
Rot. Bonds3

About 2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide

2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide (PubChem CID 106661438) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide
PubChem CID106661438
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide
SMILESCc1ccc(NC2(C(N)=O)CC(C)(C)CC2C)cc1
InChIInChI=1S/C16H24N2O/c1-11-5-7-13(8-6-11)18-16(14(17)19)10-15(3,4)9-12(16)2/h5-8,12,18H,9-10H2,1-4H3,(H2,17,19)
InChIKeyQXGWWLDTWRIAJQ-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide?
The IUPAC name of 2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide (CID 106661438) is 2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide?
The canonical SMILES for 2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide is Cc1ccc(NC2(C(N)=O)CC(C)(C)CC2C)cc1.
What is the InChIKey of 2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide?
The InChIKey is QXGWWLDTWRIAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-5-7-13(8-6-11)18-16(14(17)19)10-15(3,4)9-12(16)2/h5-8,12,18H,9-10H2,1-4H3,(H2,17,19).
What are the key properties of 2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide?
2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-(4-methylanilino)cyclopentane-1-carboxamide is sourced from PubChem (CID 106661438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).