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

C12H25N3O — CID 63300417

IUPACN-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCCNC(=O)CN(CC)C1CCNC1
InChIInChI=1S/C12H25N3O/c1-3-5-7-14-12(16)10-15(4-2)11-6-8-13-9-11/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyFFSGIGQSDVDFSV-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.59
Rot. Bonds7

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

N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide (PubChem CID 63300417) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
PubChem CID63300417
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
SMILESCCCCNC(=O)CN(CC)C1CCNC1
InChIInChI=1S/C12H25N3O/c1-3-5-7-14-12(16)10-15(4-2)11-6-8-13-9-11/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyFFSGIGQSDVDFSV-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 55245115
2-[ethyl(piperidin-4-yl)amino]-N-propylacetamide
CID 60806113
2-[ethyl(pyrrolidin-3-yl)amino]-N-pentan-3-ylacetamide
CID 63300371
N-butan-2-yl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63300316
N-(butylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301724
2-[ethyl(pyrrolidin-3-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 63299858
N-(2-cyanoethyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide
CID 63301073
2-[ethyl(pyrrolidin-3-yl)amino]-N-(6-methylheptan-2-yl)acetamide
CID 63299866
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
ethyl 2-[ethyl(pyrrolidin-3-yl)amino]acetate
CID 63300317
N-(3-methoxypropyl)-2-[piperidin-3-yl(propyl)amino]acetamide
CID 63637518

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The IUPAC name of N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide (CID 63300417) is N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide.
What is the SMILES notation for N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The canonical SMILES for N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide is CCCCNC(=O)CN(CC)C1CCNC1.
What is the InChIKey of N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
The InChIKey is FFSGIGQSDVDFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-5-7-14-12(16)10-15(4-2)11-6-8-13-9-11/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide?
N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide has a molecular weight of 227.35 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[ethyl(pyrrolidin-3-yl)amino]acetamide is sourced from PubChem (CID 63300417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).