2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide

C17H27N3O — CID 65074416

IUPAC2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide
SMILESCCN1CCCC(Nc2ccc(CC(=O)NC)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-3-20-11-4-5-15(10-12-20)19-16-8-6-14(7-9-16)13-17(21)18-2/h6-9,15,19H,3-5,10-13H2,1-2H3,(H,18,21)
InChIKeyANNXZMYEDRZWGT-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.26
Rot. Bonds5

About 2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide

2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide (PubChem CID 65074416) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide
PubChem CID65074416
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide
SMILESCCN1CCCC(Nc2ccc(CC(=O)NC)cc2)CC1
InChIInChI=1S/C17H27N3O/c1-3-20-11-4-5-15(10-12-20)19-16-8-6-14(7-9-16)13-17(21)18-2/h6-9,15,19H,3-5,10-13H2,1-2H3,(H,18,21)
InChIKeyANNXZMYEDRZWGT-UHFFFAOYSA-N
XLogP2.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide (CID 65074416) is 2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide is CCN1CCCC(Nc2ccc(CC(=O)NC)cc2)CC1.
What is the InChIKey of 2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide?
The InChIKey is ANNXZMYEDRZWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-20-11-4-5-15(10-12-20)19-16-8-6-14(7-9-16)13-17(21)18-2/h6-9,15,19H,3-5,10-13H2,1-2H3,(H,18,21).
What are the key properties of 2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide?
2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide has a molecular weight of 289.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide is sourced from PubChem (CID 65074416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).