N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide

C17H25ClN2O2 — CID 110446361

IUPACN-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NCC(C)(C)c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C17H25ClN2O2/c1-13(20-7-9-22-10-8-20)16(21)19-12-17(2,3)14-5-4-6-15(18)11-14/h4-6,11,13H,7-10,12H2,1-3H3,(H,19,21)
InChIKeyHNOVMPFRDPDEMG-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.45
Rot. Bonds5

About N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide

N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide (PubChem CID 110446361) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide
PubChem CID110446361
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide
SMILESCC(C(=O)NCC(C)(C)c1cccc(Cl)c1)N1CCOCC1
InChIInChI=1S/C17H25ClN2O2/c1-13(20-7-9-22-10-8-20)16(21)19-12-17(2,3)14-5-4-6-15(18)11-14/h4-6,11,13H,7-10,12H2,1-3H3,(H,19,21)
InChIKeyHNOVMPFRDPDEMG-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-2-methylpropyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756947
(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 8774686
N-[(3-aminophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 110483735
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47085188
N-(2-amino-4-chlorophenyl)-2-morpholin-4-ylpropanamide
CID 16779290
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569
N-[2-(2-hydroxyphenyl)ethyl]-2-morpholin-4-ylpropanamide
CID 110483744
1-[1-(3-chlorophenyl)ethyl]-3-(2-methyl-2-morpholin-4-ylpropyl)urea
CID 51274319
1-[(2R)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-3-prop-2-ynylurea
CID 95315480
(2R)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 32807681
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpropanamide
CID 51167813
N-[2-(3-chlorophenyl)-2-methylpropyl]-3-methylbenzamide
CID 110441462

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide (CID 110446361) is N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide is CC(C(=O)NCC(C)(C)c1cccc(Cl)c1)N1CCOCC1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide?
The InChIKey is HNOVMPFRDPDEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-13(20-7-9-22-10-8-20)16(21)19-12-17(2,3)14-5-4-6-15(18)11-14/h4-6,11,13H,7-10,12H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide?
N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide has a molecular weight of 324.85 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methylpropyl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 110446361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).