2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide

C14H28N4O2 — CID 106616837

IUPAC2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
SMILESCCCCN(CC(=O)NC(=O)NCC)CC1CCCN1
InChIInChI=1S/C14H28N4O2/c1-3-5-9-18(10-12-7-6-8-16-12)11-13(19)17-14(20)15-4-2/h12,16H,3-11H2,1-2H3,(H2,15,17,19,20)
InChIKeyDFFYYGVHYIVJPQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.69
Rot. Bonds8

About 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide

2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide (PubChem CID 106616837) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
PubChem CID106616837
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC Name2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
SMILESCCCCN(CC(=O)NC(=O)NCC)CC1CCCN1
InChIInChI=1S/C14H28N4O2/c1-3-5-9-18(10-12-7-6-8-16-12)11-13(19)17-14(20)15-4-2/h12,16H,3-11H2,1-2H3,(H2,15,17,19,20)
InChIKeyDFFYYGVHYIVJPQ-UHFFFAOYSA-N
XLogP0.69
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)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

N-(ethylcarbamoyl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106636038
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide
CID 106616577
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide
CID 106616609
N-(2-methylpropylcarbamoyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615591
2-[piperidin-2-ylmethyl(propyl)amino]-N-(propylcarbamoyl)acetamide
CID 106635938
N-(ethylcarbamoyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614699
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 106618204
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
CID 106631667
tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate
CID 106616742
N-(tert-butylcarbamoyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615007
N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616037
2-[piperidin-2-ylmethyl(propyl)amino]-N-propylacetamide
CID 106636145

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide (CID 106616837) is 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide is CCCCN(CC(=O)NC(=O)NCC)CC1CCCN1.
What is the InChIKey of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide?
The InChIKey is DFFYYGVHYIVJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-3-5-9-18(10-12-7-6-8-16-12)11-13(19)17-14(20)15-4-2/h12,16H,3-11H2,1-2H3,(H2,15,17,19,20).
What are the key properties of 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide?
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide has a molecular weight of 284.40 g/mol, XLogP of 0.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 106616837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).