2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide

C18H28N2O3 — CID 110316912

IUPAC2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
SMILESCOc1ccc(C(C(=O)NCCN2CCOCC2)C(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-14(2)17(15-4-6-16(22-3)7-5-15)18(21)19-8-9-20-10-12-23-13-11-20/h4-7,14,17H,8-13H2,1-3H3,(H,19,21)
InChIKeyKWRHRZDAPYFLLN-UHFFFAOYSA-N
MW320.43 g/mol
LogP1.88
Rot. Bonds7

About 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide

2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 110316912) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID110316912
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
SMILESCOc1ccc(C(C(=O)NCCN2CCOCC2)C(C)C)cc1
InChIInChI=1S/C18H28N2O3/c1-14(2)17(15-4-6-16(22-3)7-5-15)18(21)19-8-9-20-10-12-23-13-11-20/h4-7,14,17H,8-13H2,1-3H3,(H,19,21)
InChIKeyKWRHRZDAPYFLLN-UHFFFAOYSA-N
XLogP1.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 46772645
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 95178028
(2R)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 95247391
2-(4-methoxyphenyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 110316901
2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
CID 110316942
N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 108510277
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
2-(4-methoxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)butanamide
CID 110312807
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110316961
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51159478
(2R)-2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2203701

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide (CID 110316912) is 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide is COc1ccc(C(C(=O)NCCN2CCOCC2)C(C)C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is KWRHRZDAPYFLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14(2)17(15-4-6-16(22-3)7-5-15)18(21)19-8-9-20-10-12-23-13-11-20/h4-7,14,17H,8-13H2,1-3H3,(H,19,21).
What are the key properties of 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide?
2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 320.43 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 110316912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).