4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide

C16H23N3O3 — CID 2899073

IUPAC4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-13-2-4-14(5-3-13)16(21)18-7-6-17-15(20)12-19-8-10-22-11-9-19/h2-5H,6-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyGSLMBINZCVHYOL-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.17
Rot. Bonds6

About 4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide

4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide (PubChem CID 2899073) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide
PubChem CID2899073
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCNC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C16H23N3O3/c1-13-2-4-14(5-3-13)16(21)18-7-6-17-15(20)12-19-8-10-22-11-9-19/h2-5H,6-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyGSLMBINZCVHYOL-UHFFFAOYSA-N
XLogP0.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide (CID 2899073) is 4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide is Cc1ccc(C(=O)NCCNC(=O)CN2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide?
The InChIKey is GSLMBINZCVHYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-13-2-4-14(5-3-13)16(21)18-7-6-17-15(20)12-19-8-10-22-11-9-19/h2-5H,6-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide?
4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide has a molecular weight of 305.38 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(2-morpholin-4-ylacetyl)amino]ethyl]benzamide is sourced from PubChem (CID 2899073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).