N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide

C21H24N2O4 — CID 175242104

IUPACN-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide
SMILESO=C(CCc1ccccc1)Nc1ccc(C(=O)NO[C@H]2CCCCO2)cc1
InChIInChI=1S/C21H24N2O4/c24-19(14-9-16-6-2-1-3-7-16)22-18-12-10-17(11-13-18)21(25)23-27-20-8-4-5-15-26-20/h1-3,6-7,10-13,20H,4-5,8-9,14-15H2,(H,22,24)(H,23,25)/t20-/m0/s1
InChIKeyZNLLGYKEJVWYGL-FQEVSTJZSA-N
MW368.43 g/mol
LogP3.45
Rot. Bonds7

About N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide

N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide (PubChem CID 175242104) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide
PubChem CID175242104
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide
SMILESO=C(CCc1ccccc1)Nc1ccc(C(=O)NO[C@H]2CCCCO2)cc1
InChIInChI=1S/C21H24N2O4/c24-19(14-9-16-6-2-1-3-7-16)22-18-12-10-17(11-13-18)21(25)23-27-20-8-4-5-15-26-20/h1-3,6-7,10-13,20H,4-5,8-9,14-15H2,(H,22,24)(H,23,25)/t20-/m0/s1
InChIKeyZNLLGYKEJVWYGL-FQEVSTJZSA-N
XLogP3.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-[4-(3-phenylpropanoylamino)phenyl]benzamide
CID 17233663
4-(3-phenylpropanoylamino)benzoic acid
CID 10492186
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862
acetic acid;N-[4-(hydrazinecarbonyl)phenyl]-3-phenylpropanamide
CID 172856727
oxan-2-yl 3-phenylpropanoate
CID 10609743
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145
4-(3-phenylpropanoylamino)benzamide
CID 675903
N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 71815541
N-(2-phenylethyl)-4-(3-phenylpropanoylamino)benzamide
CID 1296529
N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide
CID 71815483
7-(oxan-2-yloxysulfamoyl)-N-phenylheptanamide
CID 11153338

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide?
The IUPAC name of N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide (CID 175242104) is N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide.
What is the SMILES notation for N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide?
The canonical SMILES for N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide is O=C(CCc1ccccc1)Nc1ccc(C(=O)NO[C@H]2CCCCO2)cc1.
What is the InChIKey of N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide?
The InChIKey is ZNLLGYKEJVWYGL-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-19(14-9-16-6-2-1-3-7-16)22-18-12-10-17(11-13-18)21(25)23-27-20-8-4-5-15-26-20/h1-3,6-7,10-13,20H,4-5,8-9,14-15H2,(H,22,24)(H,23,25)/t20-/m0/s1.
What are the key properties of N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide?
N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-oxan-2-yl]oxy-4-(3-phenylpropanoylamino)benzamide is sourced from PubChem (CID 175242104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).