N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide

C16H22N2O4 — CID 95247449

IUPACN-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)[C@H](C)OC[C@H]2CCCO2)cc1
InChIInChI=1S/C16H22N2O4/c1-11(22-10-14-4-3-9-21-14)15(19)18-13-7-5-12(6-8-13)16(20)17-2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,19)/t11-,14+/m0/s1
InChIKeyWLJYTOIYLPAORG-SMDDNHRTSA-N
MW306.36 g/mol
LogP1.57
Rot. Bonds6

About N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide

N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide (PubChem CID 95247449) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
PubChem CID95247449
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)[C@H](C)OC[C@H]2CCCO2)cc1
InChIInChI=1S/C16H22N2O4/c1-11(22-10-14-4-3-9-21-14)15(19)18-13-7-5-12(6-8-13)16(20)17-2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,19)/t11-,14+/m0/s1
InChIKeyWLJYTOIYLPAORG-SMDDNHRTSA-N
XLogP1.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide with MolForge

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Related Compounds

4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898
4-[2-(cyclopropylmethoxy)propanoylamino]-N-methylbenzamide
CID 47422905
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48861457
4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide
CID 47080643
(2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 94795987
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 49263668
N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 120566641
N-(1-ethylindol-5-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 49493559
N-(5-tert-butyl-2-hydroxyphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 51126483

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide (CID 95247449) is N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)[C@H](C)OC[C@H]2CCCO2)cc1.
What is the InChIKey of N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide?
The InChIKey is WLJYTOIYLPAORG-SMDDNHRTSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11(22-10-14-4-3-9-21-14)15(19)18-13-7-5-12(6-8-13)16(20)17-2/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,17,20)(H,18,19)/t11-,14+/m0/s1.
What are the key properties of N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide?
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide has a molecular weight of 306.36 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide is sourced from PubChem (CID 95247449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).