N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide

C17H23N5O2 — CID 21158011

IUPACN-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide
SMILESCC(C)C(NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C17H23N5O2/c1-11(2)15(16(23)18-12-7-3-4-8-12)19-17(24)22-14-10-6-5-9-13(14)20-21-22/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyGOBKVUOSMJDFOP-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.07
Rot. Bonds4

About N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide

N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide (PubChem CID 21158011) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide
PubChem CID21158011
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide
SMILESCC(C)C(NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C17H23N5O2/c1-11(2)15(16(23)18-12-7-3-4-8-12)19-17(24)22-14-10-6-5-9-13(14)20-21-22/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,18,23)(H,19,24)
InChIKeyGOBKVUOSMJDFOP-UHFFFAOYSA-N
XLogP2.07
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide?
The IUPAC name of N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide (CID 21158011) is N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide?
The canonical SMILES for N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide is CC(C)C(NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1.
What is the InChIKey of N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide?
The InChIKey is GOBKVUOSMJDFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-11(2)15(16(23)18-12-7-3-4-8-12)19-17(24)22-14-10-6-5-9-13(14)20-21-22/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,18,23)(H,19,24).
What are the key properties of N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide?
N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzotriazole-1-carboxamide is sourced from PubChem (CID 21158011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).