3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide

C15H20Cl2N2O2 — CID 95175771

IUPAC3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H20Cl2N2O2/c1-2-18-15(20)5-6-19-7-8-21-14(10-19)11-3-4-12(16)13(17)9-11/h3-4,9,14H,2,5-8,10H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyWPSONEZOEDVREJ-CQSZACIVSA-N
MW331.24 g/mol
LogP2.89
Rot. Bonds5

About 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide

3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide (PubChem CID 95175771) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
PubChem CID95175771
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H20Cl2N2O2/c1-2-18-15(20)5-6-19-7-8-21-14(10-19)11-3-4-12(16)13(17)9-11/h3-4,9,14H,2,5-8,10H2,1H3,(H,18,20)/t14-/m1/s1
InChIKeyWPSONEZOEDVREJ-CQSZACIVSA-N
XLogP2.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide
CID 95175762
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 95175773
N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide
CID 75502042
4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
CID 95563875
5-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 91660392
5-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 99853982
3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propan-1-ol
CID 95175790
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326
2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 95175805
4-[[2-(3,4-dichlorophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021290
methyl 3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propanoate
CID 95175743
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
CID 52505045

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide?
The IUPAC name of 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide (CID 95175771) is 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide is CCNC(=O)CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide?
The InChIKey is WPSONEZOEDVREJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-2-18-15(20)5-6-19-7-8-21-14(10-19)11-3-4-12(16)13(17)9-11/h3-4,9,14H,2,5-8,10H2,1H3,(H,18,20)/t14-/m1/s1.
What are the key properties of 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide?
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide has a molecular weight of 331.24 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide is sourced from PubChem (CID 95175771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).