N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide

C17H24N2O3 — CID 7303399

IUPACN'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
SMILESO=C(CCC(=O)NC[C@@H]1CCCO1)NCCc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16(18-11-10-14-5-2-1-3-6-14)8-9-17(21)19-13-15-7-4-12-22-15/h1-3,5-6,15H,4,7-13H2,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyABCSMDWPNAEWBX-HNNXBMFYSA-N
MW304.39 g/mol
LogP1.42
Rot. Bonds8

About N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide

N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide (PubChem CID 7303399) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide.

Molecular Properties

Compound NameN'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
PubChem CID7303399
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
SMILESO=C(CCC(=O)NC[C@@H]1CCCO1)NCCc1ccccc1
InChIInChI=1S/C17H24N2O3/c20-16(18-11-10-14-5-2-1-3-6-14)8-9-17(21)19-13-15-7-4-12-22-15/h1-3,5-6,15H,4,7-13H2,(H,18,20)(H,19,21)/t15-/m0/s1
InChIKeyABCSMDWPNAEWBX-HNNXBMFYSA-N
XLogP1.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-N',N'-diphenylbutanediamide
CID 7324082
3-[4-oxo-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanylquinazolin-3-yl]-N-(2-phenylethyl)propanamide
CID 92694655
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 19237283
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
2-[acetyl(2-phenylethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 113163958
N-(oxolan-2-ylmethyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 18168439
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]acetamide
CID 111538345
2-[methylsulfonyl(2-phenylethyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 963775

Frequently Asked Questions

What is the IUPAC name of N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide?
The IUPAC name of N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide (CID 7303399) is N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide.
What is the SMILES notation for N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide?
The canonical SMILES for N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide is O=C(CCC(=O)NC[C@@H]1CCCO1)NCCc1ccccc1.
What is the InChIKey of N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide?
The InChIKey is ABCSMDWPNAEWBX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(18-11-10-14-5-2-1-3-6-14)8-9-17(21)19-13-15-7-4-12-22-15/h1-3,5-6,15H,4,7-13H2,(H,18,20)(H,19,21)/t15-/m0/s1.
What are the key properties of N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide?
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide has a molecular weight of 304.39 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide is sourced from PubChem (CID 7303399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).