N-benzhydryl-3-(oxan-4-yl)propanamide

C21H25NO2 — CID 84577345

IUPACN-benzhydryl-3-(oxan-4-yl)propanamide
SMILESO=C(CCC1CCOCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c23-20(12-11-17-13-15-24-16-14-17)22-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,21H,11-16H2,(H,22,23)
InChIKeyJGOQHUHFAYXZIV-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.10
Rot. Bonds6

About N-benzhydryl-3-(oxan-4-yl)propanamide

N-benzhydryl-3-(oxan-4-yl)propanamide (PubChem CID 84577345) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-benzhydryl-3-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-benzhydryl-3-(oxan-4-yl)propanamide
PubChem CID84577345
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-benzhydryl-3-(oxan-4-yl)propanamide
SMILESO=C(CCC1CCOCC1)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO2/c23-20(12-11-17-13-15-24-16-14-17)22-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,21H,11-16H2,(H,22,23)
InChIKeyJGOQHUHFAYXZIV-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
CID 84578473
(2S)-2-[3-(oxan-4-yl)propanoylamino]-3-phenylpropanoic acid
CID 119366510
3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 18290416
3-[(2S)-oxolan-2-yl]-N-[phenyl(pyridin-4-yl)methyl]propanamide
CID 166301428
3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 103772689
(2R)-2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119367062
N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide
CID 119528776
2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 120580724
(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
CID 103870984
3-(3-cyclopropylpropanoylamino)-2-methyl-3-phenylpropanoic acid
CID 119219119
N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide
CID 119048266
2-methyl-2-[3-(oxan-4-yl)propanoylamino]-N-phenylpropanamide
CID 71994809

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-(oxan-4-yl)propanamide?
The IUPAC name of N-benzhydryl-3-(oxan-4-yl)propanamide (CID 84577345) is N-benzhydryl-3-(oxan-4-yl)propanamide.
What is the SMILES notation for N-benzhydryl-3-(oxan-4-yl)propanamide?
The canonical SMILES for N-benzhydryl-3-(oxan-4-yl)propanamide is O=C(CCC1CCOCC1)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-3-(oxan-4-yl)propanamide?
The InChIKey is JGOQHUHFAYXZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-20(12-11-17-13-15-24-16-14-17)22-21(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,17,21H,11-16H2,(H,22,23).
What are the key properties of N-benzhydryl-3-(oxan-4-yl)propanamide?
N-benzhydryl-3-(oxan-4-yl)propanamide has a molecular weight of 323.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-(oxan-4-yl)propanamide is sourced from PubChem (CID 84577345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).