N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide

C20H31ClN2O2 — CID 112770384

IUPACN-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CC(C)OC(C)C1
InChIInChI=1S/C20H31ClN2O2/c1-5-16-9-10-18(21)17(6-2)20(16)22-19(24)8-7-11-23-12-14(3)25-15(4)13-23/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,24)
InChIKeyNXRHVZQJNXMCFC-UHFFFAOYSA-N
MW366.93 g/mol
LogP4.29
Rot. Bonds7

About N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide

N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide (PubChem CID 112770384) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide.

Molecular Properties

Compound NameN-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide
PubChem CID112770384
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC NameN-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CC(C)OC(C)C1
InChIInChI=1S/C20H31ClN2O2/c1-5-16-9-10-18(21)17(6-2)20(16)22-19(24)8-7-11-23-12-14(3)25-15(4)13-23/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,24)
InChIKeyNXRHVZQJNXMCFC-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminophenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanamide
CID 30057783
3-acetamido-N-(3-chloro-2,6-diethylphenyl)propanamide
CID 29298588
N-[4-(3-chloro-2,6-diethylanilino)-4-oxobutyl]benzamide
CID 39768886
N-(3-chloro-2,6-diethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 38013271
(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2182939
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
1-[(3-chloro-2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101876
N-(2-amino-4-chlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779484
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)propanamide
CID 771352
N-(3-chloro-2,6-diethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 26198598
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3-chloro-2,6-diethylphenyl)acetamide
CID 11934836
N-(4-acetylphenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 24588538

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide?
The IUPAC name of N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide (CID 112770384) is N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide.
What is the SMILES notation for N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide?
The canonical SMILES for N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide is CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CC(C)OC(C)C1.
What is the InChIKey of N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide?
The InChIKey is NXRHVZQJNXMCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2O2/c1-5-16-9-10-18(21)17(6-2)20(16)22-19(24)8-7-11-23-12-14(3)25-15(4)13-23/h9-10,14-15H,5-8,11-13H2,1-4H3,(H,22,24).
What are the key properties of N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide?
N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide has a molecular weight of 366.93 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,6-diethylphenyl)-4-(2,6-dimethylmorpholin-4-yl)butanamide is sourced from PubChem (CID 112770384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).