(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

C10H18Cl2N2O2 — CID 7375443

IUPAC(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESC[C@@](Cl)(CCl)C(=O)NCCN1CCOCC1
InChIInChI=1S/C10H18Cl2N2O2/c1-10(12,8-11)9(15)13-2-3-14-4-6-16-7-5-14/h2-8H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyNWDLVSIZGIYNIO-SNVBAGLBSA-N
MW269.17 g/mol
LogP0.67
Rot. Bonds5

About (2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide

(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 7375443) has the molecular formula C10H18Cl2N2O2 and a molecular weight of 269.17 g/mol. Its IUPAC name is (2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID7375443
Molecular FormulaC10H18Cl2N2O2
Molecular Weight269.17 g/mol
Exact Mass268.07
IUPAC Name(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
SMILESC[C@@](Cl)(CCl)C(=O)NCCN1CCOCC1
InChIInChI=1S/C10H18Cl2N2O2/c1-10(12,8-11)9(15)13-2-3-14-4-6-16-7-5-14/h2-8H2,1H3,(H,13,15)/t10-/m1/s1
InChIKeyNWDLVSIZGIYNIO-SNVBAGLBSA-N
XLogP0.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2,3-dichloro-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 7375440
2,2,2-trichloro-N-(2-morpholin-4-ylethyl)acetamide
CID 3533686
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
CID 108960403
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108958733
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
2-(aminomethyl)-4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 107471024
N'-(1-hydroxy-2-methylpropan-2-yl)-N-(2-morpholin-4-ylethyl)oxamide
CID 108517619
4-(2-morpholin-4-ylethylamino)-4-oxobutanoyl chloride
CID 39256191
1-tert-butyl-3-(2-morpholin-4-ylethyl)thiourea
CID 43384725
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of (2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide (CID 7375443) is (2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for (2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for (2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is C[C@@](Cl)(CCl)C(=O)NCCN1CCOCC1.
What is the InChIKey of (2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is NWDLVSIZGIYNIO-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18Cl2N2O2/c1-10(12,8-11)9(15)13-2-3-14-4-6-16-7-5-14/h2-8H2,1H3,(H,13,15)/t10-/m1/s1.
What are the key properties of (2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide?
(2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 269.17 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dichloro-2-methyl-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 7375443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).