N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide

C15H27N3O2 — CID 107407960

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCCC(C)(O)CC1
InChIInChI=1S/C15H27N3O2/c1-12(2)15(4,11-16)17-13(19)10-18-8-5-6-14(3,20)7-9-18/h12,20H,5-10H2,1-4H3,(H,17,19)
InChIKeyBUWJUAPRROLODL-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.28
Rot. Bonds4

About N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide (PubChem CID 107407960) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
PubChem CID107407960
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide
SMILESCC(C)C(C)(C#N)NC(=O)CN1CCCC(C)(O)CC1
InChIInChI=1S/C15H27N3O2/c1-12(2)15(4,11-16)17-13(19)10-18-8-5-6-14(3,20)7-9-18/h12,20H,5-10H2,1-4H3,(H,17,19)
InChIKeyBUWJUAPRROLODL-UHFFFAOYSA-N
XLogP1.28
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)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-(4-hydroxy-4-methylazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 107408042
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 95900073
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 51287537
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide
CID 95324163
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 51227036
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]acetamide
CID 31930775
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 95270915
N-(3-ethylpent-1-yn-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81116179
N-(2-cyano-3-methylbutan-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 63365075
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681261
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]acetamide
CID 78611022
N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-[(3R)-3-(methanesulfonamido)piperidin-1-yl]acetamide
CID 100842533

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide (CID 107407960) is N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide is CC(C)C(C)(C#N)NC(=O)CN1CCCC(C)(O)CC1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide?
The InChIKey is BUWJUAPRROLODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)15(4,11-16)17-13(19)10-18-8-5-6-14(3,20)7-9-18/h12,20H,5-10H2,1-4H3,(H,17,19).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide has a molecular weight of 281.40 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylbutan-2-yl)-2-(4-hydroxy-4-methylazepan-1-yl)acetamide is sourced from PubChem (CID 107407960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).