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

C19H27N5O2 — CID 5273821

IUPACN-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCCC1
InChIInChI=1S/C19H27N5O2/c1-13(2)12-16(18(25)20-14-8-4-3-5-9-14)21-19(26)24-17-11-7-6-10-15(17)22-23-24/h6-7,10-11,13-14,16H,3-5,8-9,12H2,1-2H3,(H,20,25)(H,21,26)/t16-/m0/s1
InChIKeyKCKNKKAEPZWJJW-INIZCTEOSA-N
MW357.46 g/mol
LogP2.85
Rot. Bonds5

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

N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide (PubChem CID 5273821) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide
PubChem CID5273821
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCCC1
InChIInChI=1S/C19H27N5O2/c1-13(2)12-16(18(25)20-14-8-4-3-5-9-14)21-19(26)24-17-11-7-6-10-15(17)22-23-24/h6-7,10-11,13-14,16H,3-5,8-9,12H2,1-2H3,(H,20,25)(H,21,26)/t16-/m0/s1
InChIKeyKCKNKKAEPZWJJW-INIZCTEOSA-N
XLogP2.85
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.85
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
2-Benzotriazol-1-yl-N-cyclohexyl-acetamide
CID 648490
EDJ-MED-06d94977-1
CID 154872711
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-(cyclopentylcarbamoyl)-3-methyl-butyl]benzotriazole-1-carboxamide
CID 5273757
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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide (CID 5273821) is N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide is CC(C)C[C@H](NC(=O)n1nnc2ccccc21)C(=O)NC1CCCCC1.
What is the InChIKey of N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide?
The InChIKey is KCKNKKAEPZWJJW-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13(2)12-16(18(25)20-14-8-4-3-5-9-14)21-19(26)24-17-11-7-6-10-15(17)22-23-24/h6-7,10-11,13-14,16H,3-5,8-9,12H2,1-2H3,(H,20,25)(H,21,26)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide?
N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide is sourced from PubChem (CID 5273821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).