3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide

C15H20N2O3 — CID 106911810

IUPAC3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide
SMILESNC(CC(=O)Nc1ccc(C2OCCO2)cc1)C1CC1
InChIInChI=1S/C15H20N2O3/c16-13(10-1-2-10)9-14(18)17-12-5-3-11(4-6-12)15-19-7-8-20-15/h3-6,10,13,15H,1-2,7-9,16H2,(H,17,18)
InChIKeyJSELENUKWNAJQL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.80
Rot. Bonds5

About 3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide

3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide (PubChem CID 106911810) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide
PubChem CID106911810
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide
SMILESNC(CC(=O)Nc1ccc(C2OCCO2)cc1)C1CC1
InChIInChI=1S/C15H20N2O3/c16-13(10-1-2-10)9-14(18)17-12-5-3-11(4-6-12)15-19-7-8-20-15/h3-6,10,13,15H,1-2,7-9,16H2,(H,17,18)
InChIKeyJSELENUKWNAJQL-UHFFFAOYSA-N
XLogP1.80
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911980
3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 106911721
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-oxobutanamide
CID 106912038
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylacetamide
CID 110732815
4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106909816
2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide
CID 106911779
2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106911773
N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 110732799
3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide
CID 107599767
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 106911857
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-morpholin-3-ylacetamide
CID 106911781
2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911813

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide?
The IUPAC name of 3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide (CID 106911810) is 3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide is NC(CC(=O)Nc1ccc(C2OCCO2)cc1)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide?
The InChIKey is JSELENUKWNAJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-13(10-1-2-10)9-14(18)17-12-5-3-11(4-6-12)15-19-7-8-20-15/h3-6,10,13,15H,1-2,7-9,16H2,(H,17,18).
What are the key properties of 3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide?
3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide has a molecular weight of 276.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide is sourced from PubChem (CID 106911810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).