1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one

C16H25N3O — CID 115995191

IUPAC1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one
SMILESCCNC(CC)c1ccccc1N1CCNC(=O)CC1
InChIInChI=1S/C16H25N3O/c1-3-14(17-4-2)13-7-5-6-8-15(13)19-11-9-16(20)18-10-12-19/h5-8,14,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyGUDPUXMVTMUXCX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.07
Rot. Bonds5

About 1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one

1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one (PubChem CID 115995191) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one
PubChem CID115995191
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one
SMILESCCNC(CC)c1ccccc1N1CCNC(=O)CC1
InChIInChI=1S/C16H25N3O/c1-3-14(17-4-2)13-7-5-6-8-15(13)19-11-9-16(20)18-10-12-19/h5-8,14,17H,3-4,9-12H2,1-2H3,(H,18,20)
InChIKeyGUDPUXMVTMUXCX-UHFFFAOYSA-N
XLogP2.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(azepan-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112677754
4-[2-[1-(ethylamino)propyl]phenyl]-3-methylpiperazin-2-one
CID 115995228
N-ethyl-1-[2-(4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 112677727
1-[1-[2-[1-(ethylamino)propyl]phenyl]piperidin-4-yl]ethanol
CID 106836305
1-[2-(3,4-dimethylpyrrolidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 112678203
1-[2-(4-ethoxypiperidin-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115994916
1-[2-(propylaminomethyl)phenyl]-1,4-diazepan-5-one
CID 63004166
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
1-[2-(azepan-1-yl)phenyl]-N-propylpropan-1-amine
CID 115994785
2-(5-oxo-1,4-diazepan-1-yl)benzonitrile
CID 60711408
1-[2-[1-(ethylamino)ethyl]phenyl]imidazolidin-2-one
CID 65295461
4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
CID 117340762

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one (CID 115995191) is 1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one is CCNC(CC)c1ccccc1N1CCNC(=O)CC1.
What is the InChIKey of 1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one?
The InChIKey is GUDPUXMVTMUXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-14(17-4-2)13-7-5-6-8-15(13)19-11-9-16(20)18-10-12-19/h5-8,14,17H,3-4,9-12H2,1-2H3,(H,18,20).
What are the key properties of 1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one?
1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one has a molecular weight of 275.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(ethylamino)propyl]phenyl]-1,4-diazepan-5-one is sourced from PubChem (CID 115995191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).