N-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide

C24H37N5O — CID 3454029

IUPACN-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide
SMILESCCc1nc(CN2CCCN(CC(=O)Nc3c(CC)cccc3CC)CC2)c(C)[nH]1
InChIInChI=1S/C24H37N5O/c1-5-19-10-8-11-20(6-2)24(19)27-23(30)17-29-13-9-12-28(14-15-29)16-21-18(4)25-22(7-3)26-21/h8,10-11H,5-7,9,12-17H2,1-4H3,(H,25,26)(H,27,30)
InChIKeyXEZYLNFSNUSYHC-UHFFFAOYSA-N
MW411.59 g/mol
LogP3.55
Rot. Bonds8

About N-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide

N-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide (PubChem CID 3454029) has the molecular formula C24H37N5O and a molecular weight of 411.59 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide
PubChem CID3454029
Molecular FormulaC24H37N5O
Molecular Weight411.59 g/mol
Exact Mass411.30
IUPAC NameN-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide
SMILESCCc1nc(CN2CCCN(CC(=O)Nc3c(CC)cccc3CC)CC2)c(C)[nH]1
InChIInChI=1S/C24H37N5O/c1-5-19-10-8-11-20(6-2)24(19)27-23(30)17-29-13-9-12-28(14-15-29)16-21-18(4)25-22(7-3)26-21/h8,10-11H,5-7,9,12-17H2,1-4H3,(H,25,26)(H,27,30)
InChIKeyXEZYLNFSNUSYHC-UHFFFAOYSA-N
XLogP3.55
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266469
2-[4-[(3-bromo-4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide
CID 3819506
N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide
CID 108995795
N-(2,6-diethylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51171911
N-(2,6-diethylphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197689
N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
3-ethyl-2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 154825525
N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29161563
methyl 2-[[4-[2-(2,6-diethylanilino)-2-oxoethyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethoxybenzoate
CID 3559788
methyl 2-[[4-[2-(2,6-diethylanilino)-2-oxoethyl]-1,4-diazepane-1-carbothioyl]amino]acetate
CID 3729051
2-[4-[1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carbonyl]-1,4-diazepan-1-yl]-N-(2,6-diethylphenyl)acetamide
CID 3872641
N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37404084

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide (CID 3454029) is N-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide is CCc1nc(CN2CCCN(CC(=O)Nc3c(CC)cccc3CC)CC2)c(C)[nH]1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide?
The InChIKey is XEZYLNFSNUSYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O/c1-5-19-10-8-11-20(6-2)24(19)27-23(30)17-29-13-9-12-28(14-15-29)16-21-18(4)25-22(7-3)26-21/h8,10-11H,5-7,9,12-17H2,1-4H3,(H,25,26)(H,27,30).
What are the key properties of N-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide?
N-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide has a molecular weight of 411.59 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[4-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 3454029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).