5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide

C22H29N3O2 — CID 120641589

IUPAC5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCc1ccc(CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C22H29N3O2/c1-15-4-9-20(23)10-21(15)22(26)24-11-18-5-7-19(8-6-18)14-25-12-16(2)27-17(3)13-25/h4-10,16-17H,11-14,23H2,1-3H3,(H,24,26)
InChIKeyPFQIFEKDENPLSF-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.12
Rot. Bonds5

About 5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide

5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide (PubChem CID 120641589) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide
PubChem CID120641589
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCc1ccc(CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C22H29N3O2/c1-15-4-9-20(23)10-21(15)22(26)24-11-18-5-7-19(8-6-18)14-25-12-16(2)27-17(3)13-25/h4-10,16-17H,11-14,23H2,1-3H3,(H,24,26)
InChIKeyPFQIFEKDENPLSF-UHFFFAOYSA-N
XLogP3.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.12
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

5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide
CID 120626034
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 120647867
N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 120568831
3-amino-N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 51940382
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46417237
4-(dimethylamino)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]benzamide
CID 46417014
5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 120641536
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 60508500
5-bromo-N-[[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 51940397
(2S,5R)-5-(aminomethyl)-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 120797858
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-methylindole-2-carboxamide
CID 55910222

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide (CID 120641589) is 5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NCc1ccc(CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide?
The InChIKey is PFQIFEKDENPLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-4-9-20(23)10-21(15)22(26)24-11-18-5-7-19(8-6-18)14-25-12-16(2)27-17(3)13-25/h4-10,16-17H,11-14,23H2,1-3H3,(H,24,26).
What are the key properties of 5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide?
5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 120641589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).