N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide

C17H24Cl2N2O2 — CID 95175762

IUPACN-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide
SMILESCC(C)(C)NC(=O)CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H24Cl2N2O2/c1-17(2,3)20-16(22)6-7-21-8-9-23-15(11-21)12-4-5-13(18)14(19)10-12/h4-5,10,15H,6-9,11H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyLJPHFDRQEFVYQU-HNNXBMFYSA-N
MW359.30 g/mol
LogP3.67
Rot. Bonds4

About N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide

N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide (PubChem CID 95175762) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide
PubChem CID95175762
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC NameN-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide
SMILESCC(C)(C)NC(=O)CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C17H24Cl2N2O2/c1-17(2,3)20-16(22)6-7-21-8-9-23-15(11-21)12-4-5-13(18)14(19)10-12/h4-5,10,15H,6-9,11H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyLJPHFDRQEFVYQU-HNNXBMFYSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-ethylpropanamide
CID 95175771
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide
CID 95175773
5-[2-(3,4-dichlorophenyl)morpholin-4-yl]pentanoic acid
CID 91660392
4-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]butanoic acid
CID 95563875
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
methyl 3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propanoate
CID 95175743
2-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 95175805
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326
N-ethyl-3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propanamide
CID 75502042
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-N-carbamoylpropanamide
CID 52505045
2-(3,4-dichlorophenyl)-4-(3-imidazol-1-ylpropyl)morpholine
CID 56880923

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide?
The IUPAC name of N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide (CID 95175762) is N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide?
The canonical SMILES for N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide is CC(C)(C)NC(=O)CCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide?
The InChIKey is LJPHFDRQEFVYQU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-17(2,3)20-16(22)6-7-21-8-9-23-15(11-21)12-4-5-13(18)14(19)10-12/h4-5,10,15H,6-9,11H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide?
N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide has a molecular weight of 359.30 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[(2R)-2-(3,4-dichlorophenyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 95175762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).