1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one

C13H19N3O — CID 63771217

IUPAC1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one
SMILESNC(CN1CCNC(=O)CC1)c1ccccc1
InChIInChI=1S/C13H19N3O/c14-12(11-4-2-1-3-5-11)10-16-8-6-13(17)15-7-9-16/h1-5,12H,6-10,14H2,(H,15,17)
InChIKeyNVJMOMAHECVPBP-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.51
Rot. Bonds3

About 1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one

1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one (PubChem CID 63771217) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one
PubChem CID63771217
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one
SMILESNC(CN1CCNC(=O)CC1)c1ccccc1
InChIInChI=1S/C13H19N3O/c14-12(11-4-2-1-3-5-11)10-16-8-6-13(17)15-7-9-16/h1-5,12H,6-10,14H2,(H,15,17)
InChIKeyNVJMOMAHECVPBP-UHFFFAOYSA-N
XLogP0.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-oxo-1,4-diazepan-1-yl)-2-phenylpropanenitrile
CID 64535956
2-(1,4-diazepan-1-yl)-1-phenylethanamine
CID 63771215
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
4-[2-amino-2-(3-fluorophenyl)ethyl]piperazin-2-one
CID 18069544
1-benzyl-1,4-diazepan-5-one;1-methyl-1,4-diazepan-5-one
CID 91058737
1-[[2-(aminomethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 55134887
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
1-phenacyl-1,4-diazepan-5-one
CID 63004139
1-[2-(aminomethyl)-3-methylbutyl]-1,4-diazepan-5-one
CID 107443415
1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 18069562
1-(2-amino-2-phenylethyl)pyridin-2-one
CID 16783269
2-methyl-3-(5-oxo-1,4-diazepan-1-yl)propanethioamide
CID 63003036

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one (CID 63771217) is 1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one is NC(CN1CCNC(=O)CC1)c1ccccc1.
What is the InChIKey of 1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one?
The InChIKey is NVJMOMAHECVPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-12(11-4-2-1-3-5-11)10-16-8-6-13(17)15-7-9-16/h1-5,12H,6-10,14H2,(H,15,17).
What are the key properties of 1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one?
1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one has a molecular weight of 233.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one is sourced from PubChem (CID 63771217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).