N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide

C15H22N2O2 — CID 119528776

IUPACN-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide
SMILESNC(CNC(=O)CCC1CCOC1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-14(13-4-2-1-3-5-13)10-17-15(18)7-6-12-8-9-19-11-12/h1-5,12,14H,6-11,16H2,(H,17,18)
InChIKeyJZMCGUHEDOBMNW-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.62
Rot. Bonds6

About N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide

N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide (PubChem CID 119528776) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide
PubChem CID119528776
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide
SMILESNC(CNC(=O)CCC1CCOC1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c16-14(13-4-2-1-3-5-13)10-17-15(18)7-6-12-8-9-19-11-12/h1-5,12,14H,6-11,16H2,(H,17,18)
InChIKeyJZMCGUHEDOBMNW-UHFFFAOYSA-N
XLogP1.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

oxolan-3-ylmethyl (2R)-2-amino-2-phenylacetate
CID 54977387
N-benzhydryl-3-(oxan-4-yl)propanamide
CID 84577345
(2R)-2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 119367062
2-[3-(oxolan-3-yl)propanoylamino]-3-phenylpropanoic acid
CID 120580724
3-[3-(oxolan-3-yl)propanoylamino]propanoic acid
CID 119351070
4-[[3-(oxolan-3-yl)propanoylamino]methyl]benzoic acid
CID 119353374
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
N-(2-amino-2-phenylethyl)-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindol-2-yl)propanamide
CID 119528784
3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
CID 84578473
N-(2-amino-2-phenylethyl)-2-(cyclopropylmethoxy)acetamide;hydrochloride
CID 119529587
N-(2-amino-2-phenylethyl)pentanamide
CID 63120587
N-(3,3-diphenylpropyl)-2-[(3R)-oxolan-3-yl]acetamide
CID 126442635

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide (CID 119528776) is N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide is NC(CNC(=O)CCC1CCOC1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide?
The InChIKey is JZMCGUHEDOBMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-14(13-4-2-1-3-5-13)10-17-15(18)7-6-12-8-9-19-11-12/h1-5,12,14H,6-11,16H2,(H,17,18).
What are the key properties of N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide?
N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-phenylethyl)-3-(oxolan-3-yl)propanamide is sourced from PubChem (CID 119528776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).