N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide

C16H22N2O3 — CID 9473849

IUPACN-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCc1ccc(CNC(=O)CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-13-2-4-14(5-3-13)12-17-15(19)6-7-16(20)18-8-10-21-11-9-18/h2-5H,6-12H2,1H3,(H,17,19)
InChIKeyYAGMAODYHFZQEX-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.25
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide

N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 9473849) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
PubChem CID9473849
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide
SMILESCc1ccc(CNC(=O)CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H22N2O3/c1-13-2-4-14(5-3-13)12-17-15(19)6-7-16(20)18-8-10-21-11-9-18/h2-5H,6-12H2,1H3,(H,17,19)
InChIKeyYAGMAODYHFZQEX-UHFFFAOYSA-N
XLogP1.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943434
4-(4-aminopiperidin-1-yl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 92925458
N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 51948201
2-(4-methylphenyl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 110712382
N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943433
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-(2-bromo-4-methylphenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 9451669
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
1-[(4-methylphenyl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 33427522
1-[4-[2-[(4-methylphenyl)methylsulfanyl]acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55452319
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide (CID 9473849) is N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide is Cc1ccc(CNC(=O)CCC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is YAGMAODYHFZQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13-2-4-14(5-3-13)12-17-15(19)6-7-16(20)18-8-10-21-11-9-18/h2-5H,6-12H2,1H3,(H,17,19).
What are the key properties of N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide?
N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 290.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 9473849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).