5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide

C22H27N3O3 — CID 120626034

IUPAC5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCc1ccc(C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C22H27N3O3/c1-14-4-9-19(23)10-20(14)21(26)24-11-17-5-7-18(8-6-17)22(27)25-12-15(2)28-16(3)13-25/h4-10,15-16H,11-13,23H2,1-3H3,(H,24,26)
InChIKeyAWLVBFSDMORGJH-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.76
Rot. Bonds4

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

5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide (PubChem CID 120626034) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide
PubChem CID120626034
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide
SMILESCc1ccc(N)cc1C(=O)NCc1ccc(C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C22H27N3O3/c1-14-4-9-19(23)10-20(14)21(26)24-11-17-5-7-18(8-6-17)22(27)25-12-15(2)28-16(3)13-25/h4-10,15-16H,11-13,23H2,1-3H3,(H,24,26)
InChIKeyAWLVBFSDMORGJH-UHFFFAOYSA-N
XLogP2.76
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.76
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-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 120641589
2,6-dichloro-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 71881346
5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685308
2-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyridine-4-carboxylic acid
CID 122055437
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[(4-fluoro-3-methylphenyl)methyl]-2-methylguanidine
CID 111853038
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
4-[butyl(methyl)amino]-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]benzamide
CID 60611612
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]-2-methyl-3-oxopropanoic acid
CID 146081496
(2S)-2-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119752607
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111210928
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 102555387

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide (CID 120626034) is 5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide is Cc1ccc(N)cc1C(=O)NCc1ccc(C(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of 5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide?
The InChIKey is AWLVBFSDMORGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14-4-9-19(23)10-20(14)21(26)24-11-17-5-7-18(8-6-17)22(27)25-12-15(2)28-16(3)13-25/h4-10,15-16H,11-13,23H2,1-3H3,(H,24,26).
What are the key properties of 5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide?
5-amino-N-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 2.76, 4 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-dimethylmorpholine-4-carbonyl)phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 120626034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).