4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide

C21H24N2O4 — CID 110613002

IUPAC4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)Nc2cccc(N3CCOCC3)c2)c1
InChIInChI=1S/C21H24N2O4/c1-26-19-7-2-4-16(14-19)20(24)8-9-21(25)22-17-5-3-6-18(15-17)23-10-12-27-13-11-23/h2-7,14-15H,8-13H2,1H3,(H,22,25)
InChIKeySRSIJXBZMWKDNS-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.13
Rot. Bonds7

About 4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide

4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide (PubChem CID 110613002) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
PubChem CID110613002
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
SMILESCOc1cccc(C(=O)CCC(=O)Nc2cccc(N3CCOCC3)c2)c1
InChIInChI=1S/C21H24N2O4/c1-26-19-7-2-4-16(14-19)20(24)8-9-21(25)22-17-5-3-6-18(15-17)23-10-12-27-13-11-23/h2-7,14-15H,8-13H2,1H3,(H,22,25)
InChIKeySRSIJXBZMWKDNS-UHFFFAOYSA-N
XLogP3.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide
CID 110426277
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
1-(3-methoxyphenyl)-4-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)butane-1,4-dione
CID 110634574
3-(3-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 110361627
4-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylphenyl)butanamide
CID 110612957
methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate
CID 110424348
4-(4-ethoxyphenyl)-4-oxo-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 55814159
N-[3-(4-acetylpiperazin-1-yl)phenyl]-3-(3-methoxyphenyl)propanamide
CID 110368212
N-(1-acetyl-2,3-dihydroindol-6-yl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110627267
3-(2-hydroxyphenyl)-N-(3-morpholin-4-ylphenyl)propanamide
CID 71938578
N-(4-bromo-3-methylphenyl)-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110426251
N-[4-(dimethylamino)phenyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110424715

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide?
The IUPAC name of 4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide (CID 110613002) is 4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide is COc1cccc(C(=O)CCC(=O)Nc2cccc(N3CCOCC3)c2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide?
The InChIKey is SRSIJXBZMWKDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-19-7-2-4-16(14-19)20(24)8-9-21(25)22-17-5-3-6-18(15-17)23-10-12-27-13-11-23/h2-7,14-15H,8-13H2,1H3,(H,22,25).
What are the key properties of 4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide?
4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide has a molecular weight of 368.43 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-N-(3-morpholin-4-ylphenyl)-4-oxobutanamide is sourced from PubChem (CID 110613002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).