5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide

C20H23N3O3 — CID 120620954

IUPAC5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O3/c1-14-2-5-16(21)13-18(14)20(25)22-17-6-3-15(4-7-17)12-19(24)23-8-10-26-11-9-23/h2-7,13H,8-12,21H2,1H3,(H,22,25)
InChIKeyMZFQJYLHTRRCSE-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.23
Rot. Bonds4

About 5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide

5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide (PubChem CID 120620954) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
PubChem CID120620954
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
SMILESCc1ccc(N)cc1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C20H23N3O3/c1-14-2-5-16(21)13-18(14)20(25)22-17-6-3-15(4-7-17)12-19(24)23-8-10-26-11-9-23/h2-7,13H,8-12,21H2,1H3,(H,22,25)
InChIKeyMZFQJYLHTRRCSE-UHFFFAOYSA-N
XLogP2.23
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 119712469
5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride
CID 120635586
4-chloro-2-fluoro-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 39940048
5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
CID 120647871
5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609
1-(2,5-dimethylphenyl)-3-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]thiourea
CID 43076545
N-[4-[(5-amino-2-methylbenzoyl)amino]phenyl]azepane-1-carboxamide;hydrochloride
CID 120628975
5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 120641536
5-amino-2-methyl-N-[4-(oxan-4-ylcarbamoyl)phenyl]benzamide;hydrochloride
CID 120637133
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]butanamide
CID 46455504
4-amino-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 120559975

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
The IUPAC name of 5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide (CID 120620954) is 5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide.
What is the SMILES notation for 5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
The canonical SMILES for 5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide is Cc1ccc(N)cc1C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
The InChIKey is MZFQJYLHTRRCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-2-5-16(21)13-18(14)20(25)22-17-6-3-15(4-7-17)12-19(24)23-8-10-26-11-9-23/h2-7,13H,8-12,21H2,1H3,(H,22,25).
What are the key properties of 5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide?
5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide has a molecular weight of 353.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide is sourced from PubChem (CID 120620954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).