2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide

C16H25N3O2 — CID 142795437

IUPAC2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCN1CCCN(C)CC1
InChIInChI=1S/C16H25N3O2/c1-18-9-5-10-19(13-12-18)11-8-17-16(20)14-6-3-4-7-15(14)21-2/h3-4,6-7H,5,8-13H2,1-2H3,(H,17,20)
InChIKeyYGWSVPLIOIKJGN-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.06
Rot. Bonds5

About 2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide

2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide (PubChem CID 142795437) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
PubChem CID142795437
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCN1CCCN(C)CC1
InChIInChI=1S/C16H25N3O2/c1-18-9-5-10-19(13-12-18)11-8-17-16(20)14-6-3-4-7-15(14)21-2/h3-4,6-7H,5,8-13H2,1-2H3,(H,17,20)
InChIKeyYGWSVPLIOIKJGN-UHFFFAOYSA-N
XLogP1.06
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide (CID 142795437) is 2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide is COc1ccccc1C(=O)NCCN1CCCN(C)CC1.
What is the InChIKey of 2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide?
The InChIKey is YGWSVPLIOIKJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18-9-5-10-19(13-12-18)11-8-17-16(20)14-6-3-4-7-15(14)21-2/h3-4,6-7H,5,8-13H2,1-2H3,(H,17,20).
What are the key properties of 2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide?
2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide is sourced from PubChem (CID 142795437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).