N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

C13H25N3O3 — CID 55076268

IUPACN-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESCC(=O)NCCNC(=O)CN1CCCC1CCCO
InChIInChI=1S/C13H25N3O3/c1-11(18)14-6-7-15-13(19)10-16-8-2-4-12(16)5-3-9-17/h12,17H,2-10H2,1H3,(H,14,18)(H,15,19)
InChIKeyWUZPCAOZMAAPOD-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.52
Rot. Bonds8

About N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide

N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (PubChem CID 55076268) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
PubChem CID55076268
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
SMILESCC(=O)NCCNC(=O)CN1CCCC1CCCO
InChIInChI=1S/C13H25N3O3/c1-11(18)14-6-7-15-13(19)10-16-8-2-4-12(16)5-3-9-17/h12,17H,2-10H2,1H3,(H,14,18)(H,15,19)
InChIKeyWUZPCAOZMAAPOD-UHFFFAOYSA-N
XLogP-0.52
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 94449392
N-tert-butyl-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62468848
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 62469419
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 62466919
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-(2-acetamidoethyl)acetamide
CID 51260505
2-(2-ethylpiperidin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43509674
3-(1-ethylpyrrolidin-2-yl)propan-1-ol
CID 62467784
3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 62468873
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 62014539
2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626153
N-(2-acetamidoethyl)-2-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 95349254
1-[2-(2-acetamidoethylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564329

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide (CID 55076268) is N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is CC(=O)NCCNC(=O)CN1CCCC1CCCO.
What is the InChIKey of N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
The InChIKey is WUZPCAOZMAAPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-11(18)14-6-7-15-13(19)10-16-8-2-4-12(16)5-3-9-17/h12,17H,2-10H2,1H3,(H,14,18)(H,15,19).
What are the key properties of N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide?
N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide has a molecular weight of 271.36 g/mol, XLogP of -0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 55076268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).