2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide

C16H29N3O — CID 51252353

IUPAC2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide
SMILESCC(C)CN(CC(=O)NC1(C#N)CCCC1)CC(C)C
InChIInChI=1S/C16H29N3O/c1-13(2)9-19(10-14(3)4)11-15(20)18-16(12-17)7-5-6-8-16/h13-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyOJEQOBAMGQZLRR-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.55
Rot. Bonds7

About 2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide

2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 51252353) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide
PubChem CID51252353
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide
SMILESCC(C)CN(CC(=O)NC1(C#N)CCCC1)CC(C)C
InChIInChI=1S/C16H29N3O/c1-13(2)9-19(10-14(3)4)11-15(20)18-16(12-17)7-5-6-8-16/h13-14H,5-11H2,1-4H3,(H,18,20)
InChIKeyOJEQOBAMGQZLRR-UHFFFAOYSA-N
XLogP2.55
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide (CID 51252353) is 2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide is CC(C)CN(CC(=O)NC1(C#N)CCCC1)CC(C)C.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is OJEQOBAMGQZLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13(2)9-19(10-14(3)4)11-15(20)18-16(12-17)7-5-6-8-16/h13-14H,5-11H2,1-4H3,(H,18,20).
What are the key properties of 2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide?
2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 279.43 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 51252353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).