2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide

C20H31N3O2 — CID 56792884

IUPAC2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)C(=O)N1CCCN(CC(=O)Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-15(2)17-6-8-18(9-7-17)21-19(24)14-22-10-5-11-23(13-12-22)20(25)16(3)4/h6-9,15-16H,5,10-14H2,1-4H3,(H,21,24)
InChIKeyFPGHISQTXZSCIE-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.94
Rot. Bonds5

About 2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide

2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 56792884) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID56792884
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)C(=O)N1CCCN(CC(=O)Nc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C20H31N3O2/c1-15(2)17-6-8-18(9-7-17)21-19(24)14-22-10-5-11-23(13-12-22)20(25)16(3)4/h6-9,15-16H,5,10-14H2,1-4H3,(H,21,24)
InChIKeyFPGHISQTXZSCIE-UHFFFAOYSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 18196358
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 51172052
2-(4-hydroxypiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 39902284
N-(4-methylsulfanylphenyl)-2-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]acetamide
CID 35223508
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 22197766
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide
CID 30722810
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
N-(3-bromophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086174
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide
CID 171327747
N-[4-[1-(4-hydroxyphenyl)ethyl]phenyl]-2-piperidin-1-ylacetamide
CID 145430137
2-[4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 31691823

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 56792884) is 2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)C(=O)N1CCCN(CC(=O)Nc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is FPGHISQTXZSCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15(2)17-6-8-18(9-7-17)21-19(24)14-22-10-5-11-23(13-12-22)20(25)16(3)4/h6-9,15-16H,5,10-14H2,1-4H3,(H,21,24).
What are the key properties of 2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 56792884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).