N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide

C26H27N3O4 — CID 41210911

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide
SMILESO=C(CNc1ccccc1C(=O)NC[C@@H]1CCCO1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H27N3O4/c30-25(29-23-14-6-7-15-24(23)33-19-9-2-1-3-10-19)18-27-22-13-5-4-12-21(22)26(31)28-17-20-11-8-16-32-20/h1-7,9-10,12-15,20,27H,8,11,16-18H2,(H,28,31)(H,29,30)/t20-/m0/s1
InChIKeyJAYCGFRLGCIBAH-FQEVSTJZSA-N
MW445.52 g/mol
LogP4.44
Rot. Bonds9

About N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide

N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide (PubChem CID 41210911) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide
PubChem CID41210911
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide
SMILESO=C(CNc1ccccc1C(=O)NC[C@@H]1CCCO1)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C26H27N3O4/c30-25(29-23-14-6-7-15-24(23)33-19-9-2-1-3-10-19)18-27-22-13-5-4-12-21(22)26(31)28-17-20-11-8-16-32-20/h1-7,9-10,12-15,20,27H,8,11,16-18H2,(H,28,31)(H,29,30)/t20-/m0/s1
InChIKeyJAYCGFRLGCIBAH-FQEVSTJZSA-N
XLogP4.44
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 41084647
N-cyclopropyl-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide
CID 18144260
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383699
N-[[(2R)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383704
3-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)propanamide
CID 109016142
N-[[(2S)-oxolan-2-yl]methyl]-2-(4-phenoxybutanoylamino)benzamide
CID 41145376
2-[(2-methoxyphenyl)carbamoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 133204331
N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 99949677
2-(3,3-diphenylpropanoylamino)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 41168092
2-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54812102
4-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54829444
2-[(2-naphthalen-1-yloxyacetyl)amino]-N-(oxolan-2-ylmethyl)benzamide
CID 17361740

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide (CID 41210911) is N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide is O=C(CNc1ccccc1C(=O)NC[C@@H]1CCCO1)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide?
The InChIKey is JAYCGFRLGCIBAH-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H27N3O4/c30-25(29-23-14-6-7-15-24(23)33-19-9-2-1-3-10-19)18-27-22-13-5-4-12-21(22)26(31)28-17-20-11-8-16-32-20/h1-7,9-10,12-15,20,27H,8,11,16-18H2,(H,28,31)(H,29,30)/t20-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide has a molecular weight of 445.52 g/mol, XLogP of 4.44, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-(2-phenoxyanilino)ethyl]amino]benzamide is sourced from PubChem (CID 41210911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).