N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide

C16H24N2O2 — CID 109015820

IUPACN-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
SMILESCC(NCCC(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(14-6-3-2-4-7-14)17-10-9-16(19)18-12-15-8-5-11-20-15/h2-4,6-7,13,15,17H,5,8-12H2,1H3,(H,18,19)
InChIKeyGKQMCCPNWMORAI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.02
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide

N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide (PubChem CID 109015820) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
PubChem CID109015820
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
SMILESCC(NCCC(=O)NCC1CCCO1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-13(14-6-3-2-4-7-14)17-10-9-16(19)18-12-15-8-5-11-20-15/h2-4,6-7,13,15,17H,5,8-12H2,1H3,(H,18,19)
InChIKeyGKQMCCPNWMORAI-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
(1S)-N-[2-(oxolan-2-yl)ethyl]-1-phenylethanamine
CID 65163698
N-(oxolan-2-ylmethyl)-N'-(2-phenylpropyl)oxamide
CID 17201904
N-(oxolan-2-ylmethyl)-4-[[2-(1-phenylethylamino)acetyl]amino]benzamide
CID 54815140
N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007008
1-N-(oxolan-2-ylmethyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108973227
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide
CID 124736028
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
N-[[(2S)-oxolan-2-yl]methyl]-2-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]amino]benzamide
CID 25383699

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide (CID 109015820) is N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide is CC(NCCC(=O)NCC1CCCO1)c1ccccc1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide?
The InChIKey is GKQMCCPNWMORAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(14-6-3-2-4-7-14)17-10-9-16(19)18-12-15-8-5-11-20-15/h2-4,6-7,13,15,17H,5,8-12H2,1H3,(H,18,19).
What are the key properties of N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide?
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide is sourced from PubChem (CID 109015820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).