N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide

C13H26N4O2 — CID 47239682

IUPACN-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NCCCCN1CCCC1
InChIInChI=1S/C13H26N4O2/c1-12(18)14-7-8-16-13(19)15-6-2-3-9-17-10-4-5-11-17/h2-11H2,1H3,(H,14,18)(H2,15,16,19)
InChIKeyTYHJSDXUIYJCCW-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.30
Rot. Bonds8

About N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide

N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide (PubChem CID 47239682) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide
PubChem CID47239682
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NCCCCN1CCCC1
InChIInChI=1S/C13H26N4O2/c1-12(18)14-7-8-16-13(19)15-6-2-3-9-17-10-4-5-11-17/h2-11H2,1H3,(H,14,18)(H2,15,16,19)
InChIKeyTYHJSDXUIYJCCW-UHFFFAOYSA-N
XLogP0.30
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(azepan-1-yl)pentyl]acetamide
CID 110441166
N-[3-(2-piperidin-1-ylethylcarbamoylamino)propyl]acetamide
CID 20736239
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
N-[4-(4-acetamidobutylcarbamoylamino)butyl]acetamide
CID 144980902
N-[4-(4-ethylpiperazin-1-yl)butyl]acetamide
CID 110441162
1-octyl-3-(2-piperidin-1-ylethyl)urea
CID 139652292
1-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340
methyl N-(4-piperidin-1-ylbutyl)carbamate
CID 97356284
2-oxo-N-(3-piperidin-1-ylpropyl)propanamide
CID 121311935
N-[5-(azepan-1-yl)pentyl]-2-methylpropanamide
CID 110441883

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide (CID 47239682) is N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide is CC(=O)NCCNC(=O)NCCCCN1CCCC1.
What is the InChIKey of N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide?
The InChIKey is TYHJSDXUIYJCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-12(18)14-7-8-16-13(19)15-6-2-3-9-17-10-4-5-11-17/h2-11H2,1H3,(H,14,18)(H2,15,16,19).
What are the key properties of N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide?
N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide has a molecular weight of 270.38 g/mol, XLogP of 0.30, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrrolidin-1-ylbutylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 47239682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).