N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide

C28H21N3O4 — CID 40826646

IUPACN-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide
SMILESO=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NC[C@H](O)c1ccccc1
InChIInChI=1S/C28H21N3O4/c32-24(17-6-2-1-3-7-17)15-30-25(33)16-35-18-10-11-23-22(14-18)20-12-13-29-26-19-8-4-5-9-21(19)28(34)31(23)27(20)26/h1-14,24,32H,15-16H2,(H,30,33)/t24-/m0/s1
InChIKeyGGVWCRUTWHSYLG-DEOSSOPVSA-N
MW463.49 g/mol
LogP3.82
Rot. Bonds6

About N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide

N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide (PubChem CID 40826646) has the molecular formula C28H21N3O4 and a molecular weight of 463.49 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide
PubChem CID40826646
Molecular FormulaC28H21N3O4
Molecular Weight463.49 g/mol
Exact Mass463.15
IUPAC NameN-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide
SMILESO=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NC[C@H](O)c1ccccc1
InChIInChI=1S/C28H21N3O4/c32-24(17-6-2-1-3-7-17)15-30-25(33)16-35-18-10-11-23-22(14-18)20-12-13-29-26-19-8-4-5-9-21(19)28(34)31(23)27(20)26/h1-14,24,32H,15-16H2,(H,30,33)/t24-/m0/s1
InChIKeyGGVWCRUTWHSYLG-DEOSSOPVSA-N
XLogP3.82
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide with MolForge

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Related Compounds

5-(2-methylprop-2-enoxy)-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one
CID 8016389
N-(2-hydroxy-2-phenylethyl)-2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetamide
CID 43394020
N-(2-hydroxy-2-phenylethyl)-2-methoxyacetamide
CID 60654245
N-[(2R)-2-(furan-3-yl)-2-hydroxyethyl]-2-naphthalen-2-yloxyacetamide
CID 95986651
2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 55376080
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 90497330
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-phenoxyacetamide
CID 90613291
(2R)-2-[(16,17-dimethoxy-19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14,16-nonaen-5-yl)oxy]-N-(pyridin-4-ylmethyl)propanamide
CID 40826677
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 21426688
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7794665
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide
CID 90497307

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide (CID 40826646) is N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide is O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NC[C@H](O)c1ccccc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide?
The InChIKey is GGVWCRUTWHSYLG-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H21N3O4/c32-24(17-6-2-1-3-7-17)15-30-25(33)16-35-18-10-11-23-22(14-18)20-12-13-29-26-19-8-4-5-9-21(19)28(34)31(23)27(20)26/h1-14,24,32H,15-16H2,(H,30,33)/t24-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide?
N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide has a molecular weight of 463.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-phenylethyl]-2-[(19-oxo-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-yl)oxy]acetamide is sourced from PubChem (CID 40826646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).