N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide

C15H21ClN2O3 — CID 125146148

IUPACN-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
SMILESO=C(CNC[C@H]1CCCO1)NC[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3/c16-13-6-2-1-5-12(13)14(19)9-18-15(20)10-17-8-11-4-3-7-21-11/h1-2,5-6,11,14,17,19H,3-4,7-10H2,(H,18,20)/t11-,14-/m1/s1
InChIKeyFAUUEJMKOSUBIX-BXUZGUMPSA-N
MW312.80 g/mol
LogP1.26
Rot. Bonds7

About N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide

N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide (PubChem CID 125146148) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
PubChem CID125146148
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
SMILESO=C(CNC[C@H]1CCCO1)NC[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O3/c16-13-6-2-1-5-12(13)14(19)9-18-15(20)10-17-8-11-4-3-7-21-11/h1-2,5-6,11,14,17,19H,3-4,7-10H2,(H,18,20)/t11-,14-/m1/s1
InChIKeyFAUUEJMKOSUBIX-BXUZGUMPSA-N
XLogP1.26
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994281
N-benzyl-2-(oxan-2-ylmethylamino)acetamide
CID 60971571
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119827710
N-[(2,4-dichlorophenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674688
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
2-(oxolan-2-ylmethylamino)-N-(2-phenoxyethyl)acetamide
CID 119684520
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 124695340
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
N-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119670892
N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
CID 111451181

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide (CID 125146148) is N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide is O=C(CNC[C@H]1CCCO1)NC[C@@H](O)c1ccccc1Cl.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
The InChIKey is FAUUEJMKOSUBIX-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c16-13-6-2-1-5-12(13)14(19)9-18-15(20)10-17-8-11-4-3-7-21-11/h1-2,5-6,11,14,17,19H,3-4,7-10H2,(H,18,20)/t11-,14-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide?
N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide has a molecular weight of 312.80 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide is sourced from PubChem (CID 125146148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).