N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide

C12H22N4O — CID 63301073

IUPACN-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCN(CC(=O)NCCC#N)C1CCNC1
InChIInChI=1S/C12H22N4O/c1-2-8-16(11-4-7-14-9-11)10-12(17)15-6-3-5-13/h11,14H,2-4,6-10H2,1H3,(H,15,17)
InChIKeyVNJDDECAEKDYQT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.09
Rot. Bonds7

About N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide

N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63301073) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63301073
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCN(CC(=O)NCCC#N)C1CCNC1
InChIInChI=1S/C12H22N4O/c1-2-8-16(11-4-7-14-9-11)10-12(17)15-6-3-5-13/h11,14H,2-4,6-10H2,1H3,(H,15,17)
InChIKeyVNJDDECAEKDYQT-UHFFFAOYSA-N
XLogP0.09
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide
CID 61231372
N-(cyclopropylmethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921724
N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921772
N'-acetyl-2-[propyl(pyrrolidin-3-yl)amino]acetohydrazide
CID 63300602
N-ethyl-2-[piperidin-3-yl(propyl)amino]acetamide
CID 63638025
N-(ethylcarbamoyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921450
N-ethyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60807335
N-propan-2-yl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921653
N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300417
N-[(4-fluorophenyl)methyl]-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63304113
N-(2-phenoxyethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 119921645
N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921661

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide (CID 63301073) is N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide is CCCN(CC(=O)NCCC#N)C1CCNC1.
What is the InChIKey of N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is VNJDDECAEKDYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-2-8-16(11-4-7-14-9-11)10-12(17)15-6-3-5-13/h11,14H,2-4,6-10H2,1H3,(H,15,17).
What are the key properties of N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide?
N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 238.33 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63301073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).