2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide

C16H25N3O — CID 43348732

IUPAC2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN2CCCNCC2)c1
InChIInChI=1S/C16H25N3O/c1-13(2)14-5-3-6-15(11-14)18-16(20)12-19-9-4-7-17-8-10-19/h3,5-6,11,13,17H,4,7-10,12H2,1-2H3,(H,18,20)
InChIKeyPXIIAFBOBLUZDM-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.04
Rot. Bonds4

About 2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide

2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 43348732) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
PubChem CID43348732
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(NC(=O)CN2CCCNCC2)c1
InChIInChI=1S/C16H25N3O/c1-13(2)14-5-3-6-15(11-14)18-16(20)12-19-9-4-7-17-8-10-19/h3,5-6,11,13,17H,4,7-10,12H2,1-2H3,(H,18,20)
InChIKeyPXIIAFBOBLUZDM-UHFFFAOYSA-N
XLogP2.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
2-[(3R)-3-methylpiperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 104975859
2-(1,4-diazepan-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 62838993
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 60768456
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 134045501
2-(1,4-diazepan-1-yl)-N-(3-ethoxyphenyl)acetamide
CID 62838844
2-(1,4-diazepan-1-yl)-N-(3-nitrophenyl)acetamide
CID 62837178
2-(3-aminopiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 61295961
N-cyclopropyl-2-[4-[2-oxo-2-(3-propan-2-ylanilino)ethyl]piperazin-1-yl]acetamide
CID 30670633
N-[3-(dimethylamino)phenyl]-2-piperazin-1-ylacetamide
CID 115377065
N-cyclopropyl-3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 119906484

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide (CID 43348732) is 2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)CN2CCCNCC2)c1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is PXIIAFBOBLUZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13(2)14-5-3-6-15(11-14)18-16(20)12-19-9-4-7-17-8-10-19/h3,5-6,11,13,17H,4,7-10,12H2,1-2H3,(H,18,20).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 43348732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).