3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide

C19H23N3O2 — CID 119890407

IUPAC3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESCc1ccc(CN2CCOCC2)cc1NC(=O)c1cccc(N)c1
InChIInChI=1S/C19H23N3O2/c1-14-5-6-15(13-22-7-9-24-10-8-22)11-18(14)21-19(23)16-3-2-4-17(20)12-16/h2-6,11-12H,7-10,13,20H2,1H3,(H,21,23)
InChIKeyZUGRHTDDCUNVFC-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.66
Rot. Bonds4

About 3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide

3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide (PubChem CID 119890407) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
PubChem CID119890407
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide
SMILESCc1ccc(CN2CCOCC2)cc1NC(=O)c1cccc(N)c1
InChIInChI=1S/C19H23N3O2/c1-14-5-6-15(13-22-7-9-24-10-8-22)11-18(14)21-19(23)16-3-2-4-17(20)12-16/h2-6,11-12H,7-10,13,20H2,1H3,(H,21,23)
InChIKeyZUGRHTDDCUNVFC-UHFFFAOYSA-N
XLogP2.66
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.66
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

methyl 4-methyl-3-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 30396966
N-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)benzamide
CID 46769268
4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-morpholin-4-ylphenyl)benzamide
CID 22636122
2-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119890389
4-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119890424
2-(2-methoxyethylamino)-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]acetamide;dihydrochloride
CID 119890420
3-acetamido-4-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 78876482
7-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]heptanamide
CID 119890381
N-(3-amino-4-methylphenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 141217445
3-amino-2-methyl-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-3-phenylpropanamide
CID 119890395
N-(5-ethyl-2-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 110425345
3-benzamido-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 17226356

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide (CID 119890407) is 3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide is Cc1ccc(CN2CCOCC2)cc1NC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide?
The InChIKey is ZUGRHTDDCUNVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-5-6-15(13-22-7-9-24-10-8-22)11-18(14)21-19(23)16-3-2-4-17(20)12-16/h2-6,11-12H,7-10,13,20H2,1H3,(H,21,23).
What are the key properties of 3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide?
3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 119890407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).