4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one

C14H19N3O2 — CID 102888815

IUPAC4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)C(N)c2ccccc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-16-8-5-9-17(10-12(16)18)14(19)13(15)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10,15H2,1H3
InChIKeyOMOSQKXOEIZRJQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.38
Rot. Bonds2

About 4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one

4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102888815) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102888815
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)C(N)c2ccccc2)CC1=O
InChIInChI=1S/C14H19N3O2/c1-16-8-5-9-17(10-12(16)18)14(19)13(15)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10,15H2,1H3
InChIKeyOMOSQKXOEIZRJQ-UHFFFAOYSA-N
XLogP0.38
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888989
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
4-(2-amino-4-phenylbutanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888793
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
4-[2-(aminomethyl)-3-phenylpropanoyl]-1-methyl-1,4-diazepan-2-one
CID 102888728
2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 75518092
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
4-(2-amino-4-methylsulfonylbutanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888795
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898929
(2S)-2-amino-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 104897534
4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888932
4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one
CID 119330494

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one (CID 102888815) is 4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(C(=O)C(N)c2ccccc2)CC1=O.
What is the InChIKey of 4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is OMOSQKXOEIZRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-16-8-5-9-17(10-12(16)18)14(19)13(15)11-6-3-2-4-7-11/h2-4,6-7,13H,5,8-10,15H2,1H3.
What are the key properties of 4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one?
4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 261.32 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102888815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).