4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide

C23H30N2O4 — CID 24643824

IUPAC4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide
SMILESCc1ccc(C(CNC(=O)CCC(=O)c2ccc(C)c(C)c2)N2CCOCC2)o1
InChIInChI=1S/C23H30N2O4/c1-16-4-6-19(14-17(16)2)21(26)7-9-23(27)24-15-20(22-8-5-18(3)29-22)25-10-12-28-13-11-25/h4-6,8,14,20H,7,9-13,15H2,1-3H3,(H,24,27)
InChIKeyWORVOADBKFBTFZ-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.36
Rot. Bonds8

About 4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide

4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide (PubChem CID 24643824) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide
PubChem CID24643824
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide
SMILESCc1ccc(C(CNC(=O)CCC(=O)c2ccc(C)c(C)c2)N2CCOCC2)o1
InChIInChI=1S/C23H30N2O4/c1-16-4-6-19(14-17(16)2)21(26)7-9-23(27)24-15-20(22-8-5-18(3)29-22)25-10-12-28-13-11-25/h4-6,8,14,20H,7,9-13,15H2,1-3H3,(H,24,27)
InChIKeyWORVOADBKFBTFZ-UHFFFAOYSA-N
XLogP3.36
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxo-4-phenylbutanamide
CID 51283099
3-(3-chloro-4-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 24643835
3-(methanesulfonamido)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 118763137
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
2-(methylamino)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 120703417
3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]butanamide
CID 51283060
2,2-dimethyl-N-[4-[[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]propanamide
CID 134056195
3-[(4-acetylphenyl)sulfonylamino]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 55519754
3-(3,4-difluorophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 46546938
N-[(2S)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-phenoxypropanamide
CID 95577240
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55713256
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74233266

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide (CID 24643824) is 4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide is Cc1ccc(C(CNC(=O)CCC(=O)c2ccc(C)c(C)c2)N2CCOCC2)o1.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide?
The InChIKey is WORVOADBKFBTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16-4-6-19(14-17(16)2)21(26)7-9-23(27)24-15-20(22-8-5-18(3)29-22)25-10-12-28-13-11-25/h4-6,8,14,20H,7,9-13,15H2,1-3H3,(H,24,27).
What are the key properties of 4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide?
4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide has a molecular weight of 398.50 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-oxobutanamide is sourced from PubChem (CID 24643824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).