(2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide

C16H21ClN2O4 — CID 94811457

IUPAC(2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide
SMILESC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)N1CCOCC1
InChIInChI=1S/C16H21ClN2O4/c1-11(16(21)19-6-8-22-9-7-19)18-15(20)12(2)23-14-5-3-4-13(17)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyATPUFIGPEHXJBC-RYUDHWBXSA-N
MW340.81 g/mol
LogP1.47
Rot. Bonds5

About (2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide

(2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide (PubChem CID 94811457) has the molecular formula C16H21ClN2O4 and a molecular weight of 340.81 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide
PubChem CID94811457
Molecular FormulaC16H21ClN2O4
Molecular Weight340.81 g/mol
Exact Mass340.12
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide
SMILESC[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)N1CCOCC1
InChIInChI=1S/C16H21ClN2O4/c1-11(16(21)19-6-8-22-9-7-19)18-15(20)12(2)23-14-5-3-4-13(17)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,18,20)/t11-,12-/m0/s1
InChIKeyATPUFIGPEHXJBC-RYUDHWBXSA-N
XLogP1.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 95165980
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 62227029
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
2-(3-chlorophenoxy)-1-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]propan-1-one
CID 45189623
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one
CID 21101274
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide (CID 94811457) is (2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide is C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide?
The InChIKey is ATPUFIGPEHXJBC-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H21ClN2O4/c1-11(16(21)19-6-8-22-9-7-19)18-15(20)12(2)23-14-5-3-4-13(17)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,18,20)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide?
(2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide has a molecular weight of 340.81 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide is sourced from PubChem (CID 94811457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).