2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide

C22H27N3O2 — CID 77097205

IUPAC2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCN(Cc2cccc3c2oc2ccccc23)CC1
InChIInChI=1S/C22H27N3O2/c1-23(2)21(26)16-25-12-6-11-24(13-14-25)15-17-7-5-9-19-18-8-3-4-10-20(18)27-22(17)19/h3-5,7-10H,6,11-16H2,1-2H3
InChIKeyYPKXQQCNTOVNOF-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.18
Rot. Bonds4

About 2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide

2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide (PubChem CID 77097205) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
PubChem CID77097205
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCCN(Cc2cccc3c2oc2ccccc23)CC1
InChIInChI=1S/C22H27N3O2/c1-23(2)21(26)16-25-12-6-11-24(13-14-25)15-17-7-5-9-19-18-8-3-4-10-20(18)27-22(17)19/h3-5,7-10H,6,11-16H2,1-2H3
InChIKeyYPKXQQCNTOVNOF-UHFFFAOYSA-N
XLogP3.18
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 138387348
N,N-dimethyl-2-[4-[(2-nitrophenyl)methyl]-1,4-diazepan-1-yl]acetamide
CID 37107425
1-[1-(dibenzofuran-4-ylmethyl)piperidin-3-yl]-N-methylmethanamine
CID 131891384
11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754580
1-(dibenzofuran-4-ylmethyl)-3-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 77097788
2-[4-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 55641422
2-[(2S)-4-(dibenzofuran-4-ylmethyl)-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30675012
2-(azetidin-1-yl)-N,N-dimethylacetamide
CID 69256971
2-[4-[[4-(hydroxymethyl)phenyl]methyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 110008124
3-[1-(dibenzofuran-4-ylmethyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 26329389
2-[4-(1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 80703690
2-(4-acetyl-1,4-diazepan-1-yl)-N,N-dimethylacetamide
CID 60699636

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide (CID 77097205) is 2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCCN(Cc2cccc3c2oc2ccccc23)CC1.
What is the InChIKey of 2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
The InChIKey is YPKXQQCNTOVNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-23(2)21(26)16-25-12-6-11-24(13-14-25)15-17-7-5-9-19-18-8-3-4-10-20(18)27-22(17)19/h3-5,7-10H,6,11-16H2,1-2H3.
What are the key properties of 2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide?
2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide has a molecular weight of 365.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dibenzofuran-4-ylmethyl)-1,4-diazepan-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 77097205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).