2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide

C13H23N3O3 — CID 60912300

IUPAC2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(CCO)C1CCCC1
InChIInChI=1S/C13H23N3O3/c1-2-7-14-13(19)15-12(18)10-16(8-9-17)11-5-3-4-6-11/h2,11,17H,1,3-10H2,(H2,14,15,18,19)
InChIKeyPDZPIGUBNBJBEV-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.24
Rot. Bonds7

About 2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide

2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 60912300) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID60912300
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN(CCO)C1CCCC1
InChIInChI=1S/C13H23N3O3/c1-2-7-14-13(19)15-12(18)10-16(8-9-17)11-5-3-4-6-11/h2,11,17H,1,3-10H2,(H2,14,15,18,19)
InChIKeyPDZPIGUBNBJBEV-UHFFFAOYSA-N
XLogP0.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 106618204
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102676924
2-[cyclohexyl(2-hydroxyethyl)amino]-N-cyclopentylacetamide
CID 60694014
N-(benzylcarbamoyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60510233
N-tert-butyl-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 60693925
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 62016627
N-[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]-2-phenylacetamide
CID 102870028
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 60911412
N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677016
N-(4-bromophenyl)-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60911559
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 62016038

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide (CID 60912300) is 2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN(CCO)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is PDZPIGUBNBJBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-2-7-14-13(19)15-12(18)10-16(8-9-17)11-5-3-4-6-11/h2,11,17H,1,3-10H2,(H2,14,15,18,19).
What are the key properties of 2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide?
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 269.34 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(2-hydroxyethyl)amino]-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 60912300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).