(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide

C26H31N5O3 — CID 25312169

IUPAC(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide
SMILESO=C(NC[C@H]1CCCO1)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)C1CCCC1
InChIInChI=1S/C26H31N5O3/c32-24(18-30-23-15-7-6-14-22(23)28-29-30)31(20-11-4-5-12-20)25(19-9-2-1-3-10-19)26(33)27-17-21-13-8-16-34-21/h1-3,6-7,9-10,14-15,20-21,25H,4-5,8,11-13,16-18H2,(H,27,33)/t21-,25+/m1/s1
InChIKeyOWOKWEAENQIYSR-BWKNWUBXSA-N
MW461.57 g/mol
LogP3.24
Rot. Bonds8

About (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide

(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide (PubChem CID 25312169) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide
PubChem CID25312169
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide
SMILESO=C(NC[C@H]1CCCO1)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)C1CCCC1
InChIInChI=1S/C26H31N5O3/c32-24(18-30-23-15-7-6-14-22(23)28-29-30)31(20-11-4-5-12-20)25(19-9-2-1-3-10-19)26(33)27-17-21-13-8-16-34-21/h1-3,6-7,9-10,14-15,20-21,25H,4-5,8,11-13,16-18H2,(H,27,33)/t21-,25+/m1/s1
InChIKeyOWOKWEAENQIYSR-BWKNWUBXSA-N
XLogP3.24
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclohexylamino]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 25312145
2-[[2-(benzotriazol-1-yl)acetyl]-cyclopropylamino]-N-(oxolan-2-ylmethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 3191663
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclohexylamino]-2-(4-ethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25312270
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclohexylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 98098073
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[(2-fluorophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 25312067
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide
CID 25313534
2-[[2-(benzotriazol-1-yl)acetyl]-(2-phenylethyl)amino]-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3191629
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-2-(4-ethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25312242
(2R)-2-[N-[2-(benzotriazol-1-yl)acetyl]-3-methyl-4-(tetrazol-1-yl)anilino]-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylacetamide
CID 98098022
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-methylanilino)-2-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 25312299
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-4-methylanilino)-2-[4-(dimethylamino)phenyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 25312672
(2S)-2-(4-acetyl-N-[2-(benzotriazol-1-yl)acetyl]anilino)-2-(4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 25313131

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide (CID 25312169) is (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide is O=C(NC[C@H]1CCCO1)[C@H](c1ccccc1)N(C(=O)Cn1nnc2ccccc21)C1CCCC1.
What is the InChIKey of (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide?
The InChIKey is OWOKWEAENQIYSR-BWKNWUBXSA-N. The full InChI is InChI=1S/C26H31N5O3/c32-24(18-30-23-15-7-6-14-22(23)28-29-30)31(20-11-4-5-12-20)25(19-9-2-1-3-10-19)26(33)27-17-21-13-8-16-34-21/h1-3,6-7,9-10,14-15,20-21,25H,4-5,8,11-13,16-18H2,(H,27,33)/t21-,25+/m1/s1.
What are the key properties of (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide?
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide has a molecular weight of 461.57 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(benzotriazol-1-yl)acetyl]-cyclopentylamino]-N-[[(2R)-oxolan-2-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 25312169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).