3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide

C12H22N2O2 — CID 106112124

IUPAC3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(CN)OC)C1CCCC1
InChIInChI=1S/C12H22N2O2/c1-3-8-14(10-6-4-5-7-10)12(15)11(9-13)16-2/h3,10-11H,1,4-9,13H2,2H3
InChIKeyPVSLBVMAWZWIBC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.92
Rot. Bonds6

About 3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide

3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide (PubChem CID 106112124) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide
PubChem CID106112124
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(CN)OC)C1CCCC1
InChIInChI=1S/C12H22N2O2/c1-3-8-14(10-6-4-5-7-10)12(15)11(9-13)16-2/h3,10-11H,1,4-9,13H2,2H3
InChIKeyPVSLBVMAWZWIBC-UHFFFAOYSA-N
XLogP0.92
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methoxypropanamide
CID 106112194
2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
CID 65227548
(2S)-2-amino-N-cyclopentyl-N-prop-2-enylpropanamide
CID 61145863
3-amino-N-cyclobutyl-2-methoxy-N-methylpropanamide
CID 106113872
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
CID 60947968
3-amino-N-cyclopropyl-2-methoxy-N-(2-methoxyethyl)propanamide
CID 106112093
3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide
CID 62877146
2-hydroxyethyl N-cyclopentyl-N-prop-2-enylcarbamate
CID 79345819
2-amino-N-cyclopentyl-2-ethyl-N-prop-2-enylbutanamide
CID 79814024
2-amino-N-cyclopentyl-2-(4-methylphenyl)-N-prop-2-enylacetamide
CID 106312192
3-amino-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylpropanamide
CID 106114022
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-methoxypropanamide
CID 106112024

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide?
The IUPAC name of 3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide (CID 106112124) is 3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide?
The canonical SMILES for 3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide is C=CCN(C(=O)C(CN)OC)C1CCCC1.
What is the InChIKey of 3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide?
The InChIKey is PVSLBVMAWZWIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-8-14(10-6-4-5-7-10)12(15)11(9-13)16-2/h3,10-11H,1,4-9,13H2,2H3.
What are the key properties of 3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide?
3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide is sourced from PubChem (CID 106112124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).