5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide

C22H29N3O2 — CID 120647819

IUPAC5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide
SMILESCCC(NC(=O)c1cc(N)ccc1C)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H29N3O2/c1-3-20(24-22(26)19-13-18(23)10-9-16(19)2)21-15-25(11-12-27-21)14-17-7-5-4-6-8-17/h4-10,13,20-21H,3,11-12,14-15,23H2,1-2H3,(H,24,26)
InChIKeyPGAXLAGAAIGPRD-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.99
Rot. Bonds6

About 5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide

5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide (PubChem CID 120647819) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide
PubChem CID120647819
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide
SMILESCCC(NC(=O)c1cc(N)ccc1C)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C22H29N3O2/c1-3-20(24-22(26)19-13-18(23)10-9-16(19)2)21-15-25(11-12-27-21)14-17-7-5-4-6-8-17/h4-10,13,20-21H,3,11-12,14-15,23H2,1-2H3,(H,24,26)
InChIKeyPGAXLAGAAIGPRD-UHFFFAOYSA-N
XLogP2.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.99
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

(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide
CID 119900648
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
CID 119900647
N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 124588230
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
CID 97095923
2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
CID 96542255
3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide
CID 120613507
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119900646
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 96542266
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide
CID 96542270
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 71917976
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363
6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide
CID 133364240

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide (CID 120647819) is 5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide is CCC(NC(=O)c1cc(N)ccc1C)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide?
The InChIKey is PGAXLAGAAIGPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-20(24-22(26)19-13-18(23)10-9-16(19)2)21-15-25(11-12-27-21)14-17-7-5-4-6-8-17/h4-10,13,20-21H,3,11-12,14-15,23H2,1-2H3,(H,24,26).
What are the key properties of 5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide?
5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide has a molecular weight of 367.49 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide is sourced from PubChem (CID 120647819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).