2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide

C20H32N4O2 — CID 119844043

IUPAC2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C20H32N4O2/c1-3-23(4-2)19(25)16-22-11-8-12-24(14-13-22)20(26)18(21)15-17-9-6-5-7-10-17/h5-7,9-10,18H,3-4,8,11-16,21H2,1-2H3
InChIKeyQUGBGOFOHRSHEX-UHFFFAOYSA-N
MW360.50 g/mol
LogP0.96
Rot. Bonds7

About 2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide

2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide (PubChem CID 119844043) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
PubChem CID119844043
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCCN(C(=O)C(N)Cc2ccccc2)CC1
InChIInChI=1S/C20H32N4O2/c1-3-23(4-2)19(25)16-22-11-8-12-24(14-13-22)20(26)18(21)15-17-9-6-5-7-10-17/h5-7,9-10,18H,3-4,8,11-16,21H2,1-2H3
InChIKeyQUGBGOFOHRSHEX-UHFFFAOYSA-N
XLogP0.96
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide (CID 119844043) is 2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCCN(C(=O)C(N)Cc2ccccc2)CC1.
What is the InChIKey of 2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide?
The InChIKey is QUGBGOFOHRSHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-23(4-2)19(25)16-22-11-8-12-24(14-13-22)20(26)18(21)15-17-9-6-5-7-10-17/h5-7,9-10,18H,3-4,8,11-16,21H2,1-2H3.
What are the key properties of 2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide?
2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide has a molecular weight of 360.50 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 119844043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).