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

C16H22Cl2N2O2 — CID 95175773

IUPAC3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H22Cl2N2O2/c1-11(2)19-16(21)5-6-20-7-8-22-15(10-20)12-3-4-13(17)14(18)9-12/h3-4,9,11,15H,5-8,10H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyAKBWIAPNZXJVQH-OAHLLOKOSA-N
MW345.27 g/mol
LogP3.28
Rot. Bonds5

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

3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide (PubChem CID 95175773) has the molecular formula C16H22Cl2N2O2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide
PubChem CID95175773
Molecular FormulaC16H22Cl2N2O2
Molecular Weight345.27 g/mol
Exact Mass344.11
IUPAC Name3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H22Cl2N2O2/c1-11(2)19-16(21)5-6-20-7-8-22-15(10-20)12-3-4-13(17)14(18)9-12/h3-4,9,11,15H,5-8,10H2,1-2H3,(H,19,21)/t15-/m1/s1
InChIKeyAKBWIAPNZXJVQH-OAHLLOKOSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6R,7R)-7-(3,4-dichlorophenyl)-N,N-dimethyl-1,4-oxazepane-6-carboxamide;hydrochloride
CID 66976242
N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]acetamide;hydrochloride
CID 162670802
(+/-)2-(3,4-Dichlorophenyl)-3,5,5-trimethylmorpholin-2-ol
CID 49799633
N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]butanamide;hydrochloride
CID 66975003
N-{[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl}-2-methoxyacetamide monohydrochloride
CID 66975073
N-[[(6S,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]methyl]propanamide;hydrochloride
CID 66975759
N-[2-[(6R,7R)-7-(3,4-dichlorophenyl)-1,4-oxazepan-6-yl]ethyl]acetamide;hydrochloride
CID 66975947
(6R,7R)-7-(3,4-dichlorophenyl)-N-methyl-1,4-oxazepane-6-carboxamide;hydrochloride
CID 66976746
[2-(Cyclohexylamino)-1-(3,4-dichlorophenyl)-2-oxoethyl] acetate
CID 3230525
(S)-2-Acetylamino-3-(3,4-dichloro-phenyl)-propionic acid 3,5-dimethyl-benzyl ester
CID 44459032
2-{[2-(3,4-Dichlorophenyl)-4-morpholinyl]methyl}-3,5-dimethyl-4-pyridinol
CID 56876937
1-[(2S,3S)-2-(3-chlorophenyl)-3,5,5-trimethylmorpholin-4-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 44531802

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide (CID 95175773) is 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide is CC(C)NC(=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-propan-2-ylpropanamide?
The InChIKey is AKBWIAPNZXJVQH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2/c1-11(2)19-16(21)5-6-20-7-8-22-15(10-20)12-3-4-13(17)14(18)9-12/h3-4,9,11,15H,5-8,10H2,1-2H3,(H,19,21)/t15-/m1/s1.
What are the key properties of 3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide?
3-[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-N-propan-2-ylpropanamide has a molecular weight of 345.27 g/mol, XLogP of 3.28, 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-propan-2-ylpropanamide is sourced from PubChem (CID 95175773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).