N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide

C17H24N2O3 — CID 94800701

IUPACN-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide
SMILESC[C@@H](CC[C@H]1CCCO1)NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-13(9-10-15-8-5-11-22-15)19-16(20)12-18-17(21)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,21)(H,19,20)/t13-,15+/m0/s1
InChIKeyNMYZIZWZIZFGBQ-DZGCQCFKSA-N
MW304.39 g/mol
LogP1.88
Rot. Bonds7

About N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide

N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide (PubChem CID 94800701) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide
PubChem CID94800701
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide
SMILESC[C@@H](CC[C@H]1CCCO1)NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-13(9-10-15-8-5-11-22-15)19-16(20)12-18-17(21)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,21)(H,19,20)/t13-,15+/m0/s1
InChIKeyNMYZIZWZIZFGBQ-DZGCQCFKSA-N
XLogP1.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide with MolForge

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Related Compounds

N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3-phenylfuran-2-carboxamide
CID 94798688
N-[4-(oxolan-2-yl)butan-2-yl]-3-phenylfuran-2-carboxamide
CID 47091747
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]urea
CID 95767331
2-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]furan-2,5-dicarboxamide
CID 97086861
6-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-1-phenylpyridazine-3-carboxamide
CID 51131195
(2S,3R)-2-methyl-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 124733118
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54836830
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066
N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide
CID 54815140
N-[2-[1-(3,5-dimethylpiperidin-1-yl)propan-2-ylamino]-2-oxoethyl]benzamide
CID 60574406
3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide
CID 94820204

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide (CID 94800701) is N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide is C[C@@H](CC[C@H]1CCCO1)NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide?
The InChIKey is NMYZIZWZIZFGBQ-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(9-10-15-8-5-11-22-15)19-16(20)12-18-17(21)14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,21)(H,19,20)/t13-,15+/m0/s1.
What are the key properties of N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide?
N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide has a molecular weight of 304.39 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 94800701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).