N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide

C21H23N5O2 — CID 14842475

IUPACN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide
SMILESO=C(NC1CCCCC1)C(NC(=O)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C21H23N5O2/c27-20(22-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)23-21(28)26-18-14-8-7-13-17(18)24-25-26/h1,3-4,7-10,13-14,16,19H,2,5-6,11-12H2,(H,22,27)(H,23,28)
InChIKeyQAGRMALBUUFMKX-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.18
Rot. Bonds4

About N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide

N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide (PubChem CID 14842475) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide
PubChem CID14842475
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide
SMILESO=C(NC1CCCCC1)C(NC(=O)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C21H23N5O2/c27-20(22-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)23-21(28)26-18-14-8-7-13-17(18)24-25-26/h1,3-4,7-10,13-14,16,19H,2,5-6,11-12H2,(H,22,27)(H,23,28)
InChIKeyQAGRMALBUUFMKX-UHFFFAOYSA-N
XLogP3.18
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzotriazol-1-yl)-N-[2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-2-phenylacetamide
CID 3228327
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CID 47075852
benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267835
(2R)-2-(benzotriazol-1-yl)-N-[(1R)-2-(cyclopentylamino)-1-(3,5-dimethoxyphenyl)-2-oxoethyl]-2-(3,4-dimethylphenyl)acetamide
CID 98113205
N-[1-(cyclohexylamino)-4-methyl-1-oxopentan-2-yl]-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxamide
CID 78530144
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]anilino)-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
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(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-benzylamino]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 1155747
ethyl (2R)-3-(benzotriazol-1-yl)-2-cyclohexyl-3-oxopropanoate
CID 28661303
N-[2-(benzotriazol-1-yl)ethyl]-N'-cycloheptylbutanediamide
CID 46982982
N-cycloheptyl-2-(1-methyltetrazol-5-yl)sulfanyl-2-phenylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide (CID 14842475) is N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide is O=C(NC1CCCCC1)C(NC(=O)n1nnc2ccccc21)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide?
The InChIKey is QAGRMALBUUFMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20(22-16-11-5-2-6-12-16)19(15-9-3-1-4-10-15)23-21(28)26-18-14-8-7-13-17(18)24-25-26/h1,3-4,7-10,13-14,16,19H,2,5-6,11-12H2,(H,22,27)(H,23,28).
What are the key properties of N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide?
N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxo-1-phenylethyl]benzotriazole-1-carboxamide is sourced from PubChem (CID 14842475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).