2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide

C17H24N2O3 — CID 46455504

IUPAC2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-3-13(2)17(21)18-15-6-4-14(5-7-15)12-16(20)19-8-10-22-11-9-19/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyXIPDLEAEQWPJAG-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.07
Rot. Bonds5

About 2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide

2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide (PubChem CID 46455504) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
PubChem CID46455504
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H24N2O3/c1-3-13(2)17(21)18-15-6-4-14(5-7-15)12-16(20)19-8-10-22-11-9-19/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)
InChIKeyXIPDLEAEQWPJAG-UHFFFAOYSA-N
XLogP2.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 120559975
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
2-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 119712509
1-[[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120549290
N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-phenylprop-2-ynamide
CID 122144724
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469
1-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]cyclohexane-1-carboxamide
CID 119283363
1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 16838369
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]propanamide
CID 119860866
3-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]anilino]-2-methyl-3-oxopropanoic acid
CID 138001729
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852
N-[4-[[[amino(morpholin-4-yl)methylidene]amino]methyl]phenyl]-2-methylpropanamide
CID 111040430

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide?
The IUPAC name of 2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide (CID 46455504) is 2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide?
The canonical SMILES for 2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide is CCC(C)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide?
The InChIKey is XIPDLEAEQWPJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-13(2)17(21)18-15-6-4-14(5-7-15)12-16(20)19-8-10-22-11-9-19/h4-7,13H,3,8-12H2,1-2H3,(H,18,21).
What are the key properties of 2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide?
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide has a molecular weight of 304.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide is sourced from PubChem (CID 46455504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).