2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

C18H26N2O3 — CID 129421269

IUPAC2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN(C[C@@H](O)c1ccccc1)C1CC1)NC[C@H]1CCCO1
InChIInChI=1S/C18H26N2O3/c21-17(14-5-2-1-3-6-14)12-20(15-8-9-15)13-18(22)19-11-16-7-4-10-23-16/h1-3,5-6,15-17,21H,4,7-13H2,(H,19,22)/t16-,17-/m1/s1
InChIKeyAJRDPFYXIMIAIT-IAGOWNOFSA-N
MW318.42 g/mol
LogP1.48
Rot. Bonds8

About 2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide

2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 129421269) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID129421269
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN(C[C@@H](O)c1ccccc1)C1CC1)NC[C@H]1CCCO1
InChIInChI=1S/C18H26N2O3/c21-17(14-5-2-1-3-6-14)12-20(15-8-9-15)13-18(22)19-11-16-7-4-10-23-16/h1-3,5-6,15-17,21H,4,7-13H2,(H,19,22)/t16-,17-/m1/s1
InChIKeyAJRDPFYXIMIAIT-IAGOWNOFSA-N
XLogP1.48
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 111753851
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
N-[[(2R)-oxolan-2-yl]methyl]-2-[(S)-[(1R)-1-phenylpropyl]sulfinyl]acetamide
CID 124736028
2-[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 60504402
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate
CID 16523743
N-(oxolan-2-ylmethyl)-3-(1-phenylethylamino)propanamide
CID 109015820
(2R)-2-[methyl-[(2S)-2-phenylpropyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 129432264
2-(N-acetyl-2-methylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113167272
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1143030
ethyl 2-[cyclopropyl-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]acetate
CID 62027423
2-(N-acetyl-2-ethylanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113169027

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 129421269) is 2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is O=C(CN(C[C@@H](O)c1ccccc1)C1CC1)NC[C@H]1CCCO1.
What is the InChIKey of 2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is AJRDPFYXIMIAIT-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H26N2O3/c21-17(14-5-2-1-3-6-14)12-20(15-8-9-15)13-18(22)19-11-16-7-4-10-23-16/h1-3,5-6,15-17,21H,4,7-13H2,(H,19,22)/t16-,17-/m1/s1.
What are the key properties of 2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 1.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2S)-2-hydroxy-2-phenylethyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 129421269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).