4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid

C18H24N2O5 — CID 119239108

IUPAC4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(C(=O)NC(C(=O)N2CCOC(C(=O)O)C2)C(C)C)cc1
InChIInChI=1S/C18H24N2O5/c1-11(2)15(19-16(21)13-6-4-12(3)5-7-13)17(22)20-8-9-25-14(10-20)18(23)24/h4-7,11,14-15H,8-10H2,1-3H3,(H,19,21)(H,23,24)
InChIKeyAWKZHFFFXCIEQJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.06
Rot. Bonds5

About 4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid

4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid (PubChem CID 119239108) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid
PubChem CID119239108
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid
SMILESCc1ccc(C(=O)NC(C(=O)N2CCOC(C(=O)O)C2)C(C)C)cc1
InChIInChI=1S/C18H24N2O5/c1-11(2)15(19-16(21)13-6-4-12(3)5-7-13)17(22)20-8-9-25-14(10-20)18(23)24/h4-7,11,14-15H,8-10H2,1-3H3,(H,19,21)(H,23,24)
InChIKeyAWKZHFFFXCIEQJ-UHFFFAOYSA-N
XLogP1.06
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 18159891
N-[1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 119636248
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
(3S)-1-[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119173939
N-[1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55551043
N-[1-(4-benzylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 4801675
3-methyl-N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 51149588
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119645429
4-[2-(2-bromo-4-methylphenoxy)propanoyl]morpholine-2-carboxylic acid
CID 119239305
N-[(2R)-1-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 30688869
N-[1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 87029912

Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid (CID 119239108) is 4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid is Cc1ccc(C(=O)NC(C(=O)N2CCOC(C(=O)O)C2)C(C)C)cc1.
What is the InChIKey of 4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid?
The InChIKey is AWKZHFFFXCIEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-11(2)15(19-16(21)13-6-4-12(3)5-7-13)17(22)20-8-9-25-14(10-20)18(23)24/h4-7,11,14-15H,8-10H2,1-3H3,(H,19,21)(H,23,24).
What are the key properties of 4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid?
4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).