4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one

C15H21N3O2 — CID 102888989

IUPAC4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)C(N)Cc2ccccc2)CC1=O
InChIInChI=1S/C15H21N3O2/c1-17-8-5-9-18(11-14(17)19)15(20)13(16)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3
InChIKeyGNLBMCZKXIXRDN-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.25
Rot. Bonds3

About 4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one

4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102888989) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102888989
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)C(N)Cc2ccccc2)CC1=O
InChIInChI=1S/C15H21N3O2/c1-17-8-5-9-18(11-14(17)19)15(20)13(16)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3
InChIKeyGNLBMCZKXIXRDN-UHFFFAOYSA-N
XLogP0.25
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-4-phenylbutanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888793
4-[2-(aminomethyl)-3-phenylpropanoyl]-1-methyl-1,4-diazepan-2-one
CID 102888728
4-(2-amino-2-phenylacetyl)-1-methyl-1,4-diazepan-2-one
CID 102888815
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 78985520
4-[(2S)-2-amino-3-phenylpropanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
CID 119329138
4-(2-amino-4-methylsulfonylbutanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888795
2-amino-1-(3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295543
2-amino-3-phenyl-1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119860769
(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
(2S)-2-amino-1-(5,8-difluoro-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 75429802
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295495

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one (CID 102888989) is 4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(C(=O)C(N)Cc2ccccc2)CC1=O.
What is the InChIKey of 4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is GNLBMCZKXIXRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-8-5-9-18(11-14(17)19)15(20)13(16)10-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3.
What are the key properties of 4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one?
4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-phenylpropanoyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102888989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).