N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide

C21H23N5O2 — CID 5273824

IUPACN-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide
SMILESO=C(NC1CCCC1)[C@H](Cc1ccccc1)NC(=O)n1nnc2ccccc21
InChIInChI=1S/C21H23N5O2/c27-20(22-16-10-4-5-11-16)18(14-15-8-2-1-3-9-15)23-21(28)26-19-13-7-6-12-17(19)24-25-26/h1-3,6-9,12-13,16,18H,4-5,10-11,14H2,(H,22,27)(H,23,28)/t18-/m0/s1
InChIKeyUHDFKZQJFVDYLF-SFHVURJKSA-N
MW377.45 g/mol
LogP2.66
Rot. Bonds5

About N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide

N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide (PubChem CID 5273824) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide
PubChem CID5273824
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide
SMILESO=C(NC1CCCC1)[C@H](Cc1ccccc1)NC(=O)n1nnc2ccccc21
InChIInChI=1S/C21H23N5O2/c27-20(22-16-10-4-5-11-16)18(14-15-8-2-1-3-9-15)23-21(28)26-19-13-7-6-12-17(19)24-25-26/h1-3,6-9,12-13,16,18H,4-5,10-11,14H2,(H,22,27)(H,23,28)/t18-/m0/s1
InChIKeyUHDFKZQJFVDYLF-SFHVURJKSA-N
XLogP2.66
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1H-Benzotriazol-1-ylmethyl)benzamide
CID 726179
N-(4-phenylbutyl)-1H-benzo[d][1,2,3]triazole-1-carboxamide
CID 86663116
Cmdc.202100576, 19d
CID 156907378
2-(1H-1,2,3-benzotriazol-1-yl)-N-benzylacetamide
CID 733623
2-[(2-Benzotriazol-1-yl-acetyl)-butyl-amino]-N-(2-methoxy-ethyl)-2-phenyl-acetamide
CID 3212034
(R)-1-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)-4-(3-amino-4-(2,4,5-trifluorophenyl)butanoyl)piperazin-2-one
CID 54585462
3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]-N-cyclohexylbenzamide
CID 71456813
3-[[4-(benzotriazole-1-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 71458675
N-[4-[[2-(benzotriazol-1-yl)acetyl]-[2-(benzylamino)-1-(3-fluorophenyl)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 49849272
{(2-Benzotriazol-1-yl-acetyl)-[(2-methoxy-ethylcarbamoyl)-phenyl-methyl]-amino}-acetic acid ethyl ester
CID 645875
2-[(2-Benzotriazol-1-yl-acetyl)-(2-methoxy-ethyl)-amino]-N-(2-methoxy-ethyl)-2-phenyl-acetamide
CID 645196
2-[2-(1,2,3-Benzotriazol-1-YL)-N-(4-acetamidophenyl)acetamido]-N-benzyl-2-(4-methylphenyl)acetamide
CID 3188608

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide?
The IUPAC name of N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide (CID 5273824) is N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide?
The canonical SMILES for N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide is O=C(NC1CCCC1)[C@H](Cc1ccccc1)NC(=O)n1nnc2ccccc21.
What is the InChIKey of N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide?
The InChIKey is UHDFKZQJFVDYLF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20(22-16-10-4-5-11-16)18(14-15-8-2-1-3-9-15)23-21(28)26-19-13-7-6-12-17(19)24-25-26/h1-3,6-9,12-13,16,18H,4-5,10-11,14H2,(H,22,27)(H,23,28)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide?
N-[(2S)-1-(cyclopentylamino)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.66, 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)-1-oxo-3-phenylpropan-2-yl]benzotriazole-1-carboxamide is sourced from PubChem (CID 5273824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).