N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide

C18H19NO2 — CID 686682

IUPACN-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(19-13-15-9-6-12-21-15)17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,19,20)/t15-/m0/s1
InChIKeyKQNKFMNEYCXAEL-HNNXBMFYSA-N
MW281.36 g/mol
LogP3.26
Rot. Bonds4

About N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide

N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide (PubChem CID 686682) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
PubChem CID686682
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
SMILESO=C(NC[C@@H]1CCCO1)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(19-13-15-9-6-12-21-15)17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,19,20)/t15-/m0/s1
InChIKeyKQNKFMNEYCXAEL-HNNXBMFYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-(oxolan-2-ylmethyl)-2-(2-phenylphenoxy)acetamide
CID 18168438
2-(5-formylfuran-2-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 169333386
1-N-[[(2S)-oxolan-2-yl]methyl]-2-N,2-N-diphenylbenzene-1,2-dicarboxamide
CID 1277512
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 29238764
N-(oxolan-2-ylmethyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 133159030
2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2228852
N-(oxolan-2-ylmethyl)-6-phenylpyridazine-3-carboxamide
CID 113200525
2-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamoyl]benzoic acid
CID 7471264
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 2023347
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)benzamide
CID 2981527

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide (CID 686682) is N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide is O=C(NC[C@@H]1CCCO1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide?
The InChIKey is KQNKFMNEYCXAEL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(19-13-15-9-6-12-21-15)17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-5,7-8,10-11,15H,6,9,12-13H2,(H,19,20)/t15-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide?
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide is sourced from PubChem (CID 686682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).