2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide

C17H25N3O3 — CID 167913878

IUPAC2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
SMILESCC(CO)N1CCCN(C(=O)Cc2ccccc2C(N)=O)CC1
InChIInChI=1S/C17H25N3O3/c1-13(12-21)19-7-4-8-20(10-9-19)16(22)11-14-5-2-3-6-15(14)17(18)23/h2-3,5-6,13,21H,4,7-12H2,1H3,(H2,18,23)
InChIKeyWUWYKXFQYBWAKV-UHFFFAOYSA-N
MW319.40 g/mol
LogP0.24
Rot. Bonds5

About 2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide

2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide (PubChem CID 167913878) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
PubChem CID167913878
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
SMILESCC(CO)N1CCCN(C(=O)Cc2ccccc2C(N)=O)CC1
InChIInChI=1S/C17H25N3O3/c1-13(12-21)19-7-4-8-20(10-9-19)16(22)11-14-5-2-3-6-15(14)17(18)23/h2-3,5-6,13,21H,4,7-12H2,1H3,(H2,18,23)
InChIKeyWUWYKXFQYBWAKV-UHFFFAOYSA-N
XLogP0.24
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanethioamide
CID 63339852
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990769
2-(4-oxo-4-piperidin-1-ylbutyl)benzamide
CID 173169536
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzoic acid
CID 66545464
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
1-[4-[2-(2-methylphenyl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796698
2-(2,3-dihydroxypropyl)benzamide
CID 163691147
2-[2-oxo-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolidin-1-yl]ethyl]benzamide
CID 139021312
N-tert-butyl-4-[2-(2-methoxyphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811866
2-[2-[(5aR,8aR)-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-5-yl]-2-oxoethyl]benzamide
CID 154800019
2-(2-methoxyphenyl)-1-[4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110809785

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide (CID 167913878) is 2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide is CC(CO)N1CCCN(C(=O)Cc2ccccc2C(N)=O)CC1.
What is the InChIKey of 2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
The InChIKey is WUWYKXFQYBWAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-13(12-21)19-7-4-8-20(10-9-19)16(22)11-14-5-2-3-6-15(14)17(18)23/h2-3,5-6,13,21H,4,7-12H2,1H3,(H2,18,23).
What are the key properties of 2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide?
2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide has a molecular weight of 319.40 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 167913878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).