N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide

C14H26N4O — CID 55206294

IUPACN-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCN(CC(=O)NC(C)(C#N)C(C)C)C1CCNC1
InChIInChI=1S/C14H26N4O/c1-5-18(12-6-7-16-8-12)9-13(19)17-14(4,10-15)11(2)3/h11-12,16H,5-9H2,1-4H3,(H,17,19)
InChIKeyKHGSAEGFEZJIRU-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.72
Rot. Bonds6

About N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide

N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 55206294) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID55206294
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCN(CC(=O)NC(C)(C#N)C(C)C)C1CCNC1
InChIInChI=1S/C14H26N4O/c1-5-18(12-6-7-16-8-12)9-13(19)17-14(4,10-15)11(2)3/h11-12,16H,5-9H2,1-4H3,(H,17,19)
InChIKeyKHGSAEGFEZJIRU-UHFFFAOYSA-N
XLogP0.72
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300316
2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide
CID 63300371
2-[ethyl(pyrrolidin-3-yl)amino]-N-(6-methylheptan-2-yl)acetamide
CID 63299866
N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300417
N-(3-cyanophenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299902
ethyl 2-[ethyl(pyrrolidin-3-yl)amino]acetate
CID 63300317
N-butan-2-yl-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60805793
N-ethyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-(2-methylprop-2-enyl)acetamide
CID 63299759
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
N-cyclohexyl-2-[ethyl(pyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
CID 63299179
N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63301073
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide (CID 55206294) is N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide is CCN(CC(=O)NC(C)(C#N)C(C)C)C1CCNC1.
What is the InChIKey of N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is KHGSAEGFEZJIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-18(12-6-7-16-8-12)9-13(19)17-14(4,10-15)11(2)3/h11-12,16H,5-9H2,1-4H3,(H,17,19).
What are the key properties of N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 266.39 g/mol, XLogP of 0.72, 6 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-[ethyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 55206294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).