N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide

C16H23N3O2 — CID 2110505

IUPACN-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide
SMILESCN1CCCN(C(=O)CNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-18-8-5-9-19(11-10-18)16(21)13-17-15(20)12-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,20)
InChIKeyLIYZXNLLDWKKHF-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.51
Rot. Bonds4

About N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide

N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide (PubChem CID 2110505) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide
PubChem CID2110505
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide
SMILESCN1CCCN(C(=O)CNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-18-8-5-9-19(11-10-18)16(21)13-17-15(20)12-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,20)
InChIKeyLIYZXNLLDWKKHF-UHFFFAOYSA-N
XLogP0.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide (CID 2110505) is N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide is CN1CCCN(C(=O)CNC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is LIYZXNLLDWKKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-8-5-9-19(11-10-18)16(21)13-17-15(20)12-14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,17,20).
What are the key properties of N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide?
N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 289.38 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 2110505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).