N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide

C16H22N2O3 — CID 51296252

IUPACN-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
SMILESCC1CN(C(=O)CCCNC(=O)c2ccccc2)CCO1
InChIInChI=1S/C16H22N2O3/c1-13-12-18(10-11-21-13)15(19)8-5-9-17-16(20)14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3,(H,17,20)
InChIKeyKOMGAYJBFWTDAP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.44
Rot. Bonds5

About N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide

N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide (PubChem CID 51296252) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
PubChem CID51296252
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
SMILESCC1CN(C(=O)CCCNC(=O)c2ccccc2)CCO1
InChIInChI=1S/C16H22N2O3/c1-13-12-18(10-11-21-13)15(19)8-5-9-17-16(20)14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3,(H,17,20)
InChIKeyKOMGAYJBFWTDAP-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide
CID 97064108
N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
CID 111561014
N-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 31414440
N-[6-[(2R)-2-methylmorpholin-4-yl]-6-oxohexyl]acetamide
CID 94178807
N-[3-(2-methylmorpholin-4-yl)-3-oxo-1-phenylpropyl]benzamide
CID 51293034
4-methyl-N-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 46673862
N-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119487124
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119398775
2-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]isoindole-1,3-dione
CID 46674460
2-methyl-N-[4-oxo-4-(2-phenylmorpholin-4-yl)butyl]propanamide
CID 16894893

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide?
The IUPAC name of N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide (CID 51296252) is N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide is CC1CN(C(=O)CCCNC(=O)c2ccccc2)CCO1.
What is the InChIKey of N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide?
The InChIKey is KOMGAYJBFWTDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13-12-18(10-11-21-13)15(19)8-5-9-17-16(20)14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3,(H,17,20).
What are the key properties of N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide?
N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide is sourced from PubChem (CID 51296252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).