(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide

C21H26N2O2 — CID 124624923

IUPAC(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide
SMILESC[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16(21(24)23-19-10-6-3-7-11-19)22-20(14-17-12-13-25-15-17)18-8-4-2-5-9-18/h2-11,16-17,20,22H,12-15H2,1H3,(H,23,24)/t16-,17-,20-/m0/s1
InChIKeySNNZCDAPWZYFLB-ZWOKBUDYSA-N
MW338.45 g/mol
LogP3.77
Rot. Bonds7

About (2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide

(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide (PubChem CID 124624923) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide
PubChem CID124624923
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide
SMILESC[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16(21(24)23-19-10-6-3-7-11-19)22-20(14-17-12-13-25-15-17)18-8-4-2-5-9-18/h2-11,16-17,20,22H,12-15H2,1H3,(H,23,24)/t16-,17-,20-/m0/s1
InChIKeySNNZCDAPWZYFLB-ZWOKBUDYSA-N
XLogP3.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(oxolan-3-yl)ethylamino]-N-phenylpropanamide
CID 115660016
(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
CID 8645970
1-[2-(oxolan-3-yl)-1-phenylethyl]-3-pyridin-3-ylurea
CID 166181225
4-methyl-N-[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]-1,2,5-oxadiazole-3-carboxamide
CID 97241141
[2-(oxolan-3-yl)-1-(4-phenylphenyl)ethyl]hydrazine
CID 105265974
3-amino-2-methyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119716804
(2S,4S)-2-methyl-N-[2-(oxolan-3-yl)-1-phenylethyl]piperidine-4-carboxamide
CID 120640059
1-(6-methoxy-2-pyridinyl)-3-[2-(oxolan-3-yl)-1-phenylethyl]urea
CID 146107558
2-(1,4-dioxan-2-ylmethylamino)-N-phenylpropanamide
CID 54907409
(3R)-1-methyl-5-oxo-N-[(1R)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]pyrrolidine-3-carboxamide
CID 97241109
N-[2-(oxolan-3-yl)-1-phenylethyl]-4-(trifluoromethylsulfonyl)aniline
CID 133413514
2-(1-hydroxycyclohexyl)-N-[2-(oxolan-3-yl)-1-phenylethyl]acetamide
CID 75388123

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide (CID 124624923) is (2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide is C[C@H](N[C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide?
The InChIKey is SNNZCDAPWZYFLB-ZWOKBUDYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(21(24)23-19-10-6-3-7-11-19)22-20(14-17-12-13-25-15-17)18-8-4-2-5-9-18/h2-11,16-17,20,22H,12-15H2,1H3,(H,23,24)/t16-,17-,20-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide?
(2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-2-[(3R)-oxolan-3-yl]-1-phenylethyl]amino]-N-phenylpropanamide is sourced from PubChem (CID 124624923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).