2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone

C17H26N2O2 — CID 56822423

IUPAC2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone
SMILESCCCN1CCCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-8-18-9-5-10-19(12-11-18)17(20)14-15-6-4-7-16(13-15)21-2/h4,6-7,13H,3,5,8-12,14H2,1-2H3
InChIKeyFUEWEZHZCIQOOU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.18
Rot. Bonds5

About 2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone

2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone (PubChem CID 56822423) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone
PubChem CID56822423
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone
SMILESCCCN1CCCN(C(=O)Cc2cccc(OC)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-3-8-18-9-5-10-19(12-11-18)17(20)14-15-6-4-7-16(13-15)21-2/h4,6-7,13H,3,5,8-12,14H2,1-2H3
InChIKeyFUEWEZHZCIQOOU-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(3-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797234
1-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110799563
ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate
CID 134032771
2-(3-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 6469987
2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
CID 47439819
1-[4-(1,4-dioxan-2-ylmethyl)-1,4-diazepan-1-yl]-2-(3-methoxyphenyl)ethanone
CID 138380623
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
2-(4-ethoxyphenyl)-1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]ethanone
CID 110412322
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
4-[2-(3-methoxyphenyl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110811012
2-(3-methoxyphenyl)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 38462830

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone (CID 56822423) is 2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone is CCCN1CCCN(C(=O)Cc2cccc(OC)c2)CC1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone?
The InChIKey is FUEWEZHZCIQOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-8-18-9-5-10-19(12-11-18)17(20)14-15-6-4-7-16(13-15)21-2/h4,6-7,13H,3,5,8-12,14H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone?
2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(4-propyl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 56822423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).