(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide

C15H22N2O2 — CID 119302482

IUPAC(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
SMILESC[C@H](N)C(=O)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C15H22N2O2/c1-12(16)15(18)17(11-14-8-5-9-19-14)10-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,16H2,1H3/t12-,14?/m0/s1
InChIKeyVZLJKLFKSHAZOS-NBFOIZRFSA-N
MW262.35 g/mol
LogP1.54
Rot. Bonds5

About (2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide

(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 119302482) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
PubChem CID119302482
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
SMILESC[C@H](N)C(=O)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C15H22N2O2/c1-12(16)15(18)17(11-14-8-5-9-19-14)10-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,16H2,1H3/t12-,14?/m0/s1
InChIKeyVZLJKLFKSHAZOS-NBFOIZRFSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[(3-methoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124591748
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97061654
2-amino-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 54869237
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
CID 48846486
N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2,2-diphenylacetamide
CID 19118860
(2S)-2-amino-N-ethyl-N-(oxolan-2-ylmethyl)-4-phenylbutanamide
CID 104984220
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
CID 119747376

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide (CID 119302482) is (2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide is C[C@H](N)C(=O)N(Cc1ccccc1)CC1CCCO1.
What is the InChIKey of (2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is VZLJKLFKSHAZOS-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(16)15(18)17(11-14-8-5-9-19-14)10-13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11,16H2,1H3/t12-,14?/m0/s1.
What are the key properties of (2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide?
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 119302482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).