N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide

C18H25N5O2 — CID 5273757

IUPACN-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C18H25N5O2/c1-12(2)11-15(17(24)19-13-7-3-4-8-13)20-18(25)23-16-10-6-5-9-14(16)21-22-23/h5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3,(H,19,24)(H,20,25)/t15-/m0/s1
InChIKeyRFKUBOZFWYRRIB-HNNXBMFYSA-N
MW343.43 g/mol
LogP2.46
Rot. Bonds5

About N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide

N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide (PubChem CID 5273757) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide
PubChem CID5273757
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C18H25N5O2/c1-12(2)11-15(17(24)19-13-7-3-4-8-13)20-18(25)23-16-10-6-5-9-14(16)21-22-23/h5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3,(H,19,24)(H,20,25)/t15-/m0/s1
InChIKeyRFKUBOZFWYRRIB-HNNXBMFYSA-N
XLogP2.46
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexylbenzotriazole-1-carboxamide
CID 58271110
N-(4-phenylbutyl)-1H-benzo[d][1,2,3]triazole-1-carboxamide
CID 86663116
ALP-POS-a1bdc92a-1
CID 156906889
N-[(1S)-1-(cyclopentylcarbamoyl)-2-methyl-propyl]benzotriazole-1-carboxamide
CID 5273753
N-[(1S)-1-(cyclohexylcarbamoyl)-2-methyl-propyl]benzotriazole-1-carboxamide
CID 5273754
N-[(1S)-1-(cyclohexylcarbamoyl)-3-methyl-butyl]benzotriazole-1-carboxamide
CID 5273821
N-[(1S)-1-(cyclohexylmethylcarbamoyl)-3-methyl-butyl]benzotriazole-1-carboxamide
CID 5273822
N-[(1S)-1-(benzhydrylcarbamoyl)-3-methyl-butyl]benzotriazole-1-carboxamide
CID 5273823
N-[(1S)-1-benzyl-2-(cyclopentylamino)-2-oxo-ethyl]benzotriazole-1-carboxamide
CID 5273824
N-[(1S)-1-benzyl-2-(cyclohexylamino)-2-oxo-ethyl]benzotriazole-1-carboxamide
CID 5273825
N-[(1S)-1-benzyl-2-(cyclohexylmethylamino)-2-oxo-ethyl]benzotriazole-1-carboxamide
CID 5273826
N-[(1S)-1-benzyl-2-oxo-2-(pyrrolidine-1-carbonylamino)ethyl]benzotriazole-1-carboxamide
CID 5273827

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide (CID 5273757) is N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide is CC(C)C[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCC1.
What is the InChIKey of N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide?
The InChIKey is RFKUBOZFWYRRIB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12(2)11-15(17(24)19-13-7-3-4-8-13)20-18(25)23-16-10-6-5-9-14(16)21-22-23/h5-6,9-10,12-13,15H,3-4,7-8,11H2,1-2H3,(H,19,24)(H,20,25)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide?
N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclopentylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide is sourced from PubChem (CID 5273757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).