N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide

C18H33N5O — CID 166371186

IUPACN-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide
SMILESCCC(NC(=O)C(n1cc(CNC)nn1)C(C)(C)C)C1CCCC1
InChIInChI=1S/C18H33N5O/c1-6-15(13-9-7-8-10-13)20-17(24)16(18(2,3)4)23-12-14(11-19-5)21-22-23/h12-13,15-16,19H,6-11H2,1-5H3,(H,20,24)
InChIKeyBAAZSEBNKNIDPS-UHFFFAOYSA-N
MW335.50 g/mol
LogP2.67
Rot. Bonds7

About N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide

N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide (PubChem CID 166371186) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide.

Molecular Properties

Compound NameN-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide
PubChem CID166371186
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC NameN-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide
SMILESCCC(NC(=O)C(n1cc(CNC)nn1)C(C)(C)C)C1CCCC1
InChIInChI=1S/C18H33N5O/c1-6-15(13-9-7-8-10-13)20-17(24)16(18(2,3)4)23-12-14(11-19-5)21-22-23/h12-13,15-16,19H,6-11H2,1-5H3,(H,20,24)
InChIKeyBAAZSEBNKNIDPS-UHFFFAOYSA-N
XLogP2.67
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide?
The IUPAC name of N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide (CID 166371186) is N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide.
What is the SMILES notation for N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide?
The canonical SMILES for N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide is CCC(NC(=O)C(n1cc(CNC)nn1)C(C)(C)C)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide?
The InChIKey is BAAZSEBNKNIDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-6-15(13-9-7-8-10-13)20-17(24)16(18(2,3)4)23-12-14(11-19-5)21-22-23/h12-13,15-16,19H,6-11H2,1-5H3,(H,20,24).
What are the key properties of N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide?
N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide has a molecular weight of 335.50 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpropyl)-3,3-dimethyl-2-[4-(methylaminomethyl)triazol-1-yl]butanamide is sourced from PubChem (CID 166371186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).