N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide

C21H24N2O3 — CID 7324082

IUPACN-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide
SMILESO=C(CCC(=O)N(c1ccccc1)c1ccccc1)NC[C@H]1CCCO1
InChIInChI=1S/C21H24N2O3/c24-20(22-16-19-12-7-15-26-19)13-14-21(25)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,22,24)/t19-/m1/s1
InChIKeySGJHTGXEQNJZME-LJQANCHMSA-N
MW352.43 g/mol
LogP3.43
Rot. Bonds7

About N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide

N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide (PubChem CID 7324082) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide
PubChem CID7324082
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide
SMILESO=C(CCC(=O)N(c1ccccc1)c1ccccc1)NC[C@H]1CCCO1
InChIInChI=1S/C21H24N2O3/c24-20(22-16-19-12-7-15-26-19)13-14-21(25)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,22,24)/t19-/m1/s1
InChIKeySGJHTGXEQNJZME-LJQANCHMSA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(N-phenylanilino)ethoxy]acetamide
CID 3875158
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
1-N-[[(2S)-oxolan-2-yl]methyl]-2-N,2-N-diphenylbenzene-1,2-dicarboxamide
CID 1277512
3-(N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 112760521
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
N'-(2-cyanoethyl)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-N'-phenylbutanediamide
CID 56515080
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3830051
N'-(2-methylsulfanylphenyl)-N-(oxan-2-ylmethyl)butanediamide
CID 50960888

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide (CID 7324082) is N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide is O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NC[C@H]1CCCO1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide?
The InChIKey is SGJHTGXEQNJZME-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(22-16-19-12-7-15-26-19)13-14-21(25)23(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,22,24)/t19-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide?
N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide has a molecular weight of 352.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide is sourced from PubChem (CID 7324082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).