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

C15H20N2O3 — CID 106911980

IUPAC3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
SMILESNC(CC(=O)Nc1cccc(C2OCCO2)c1)C1CC1
InChIInChI=1S/C15H20N2O3/c16-13(10-4-5-10)9-14(18)17-12-3-1-2-11(8-12)15-19-6-7-20-15/h1-3,8,10,13,15H,4-7,9,16H2,(H,17,18)
InChIKeyAARYVJQTVLBELL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.80
Rot. Bonds5

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

3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide (PubChem CID 106911980) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
PubChem CID106911980
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
SMILESNC(CC(=O)Nc1cccc(C2OCCO2)c1)C1CC1
InChIInChI=1S/C15H20N2O3/c16-13(10-4-5-10)9-14(18)17-12-3-1-2-11(8-12)15-19-6-7-20-15/h1-3,8,10,13,15H,4-7,9,16H2,(H,17,18)
InChIKeyAARYVJQTVLBELL-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-[4-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911810
(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911920
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide
CID 107910768
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
3-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]cyclopentane-1-carboxamide
CID 106911930
3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide
CID 107599767
N-[3-(1,3-dioxolan-2-yl)phenyl]pyrrolidine-3-carboxamide
CID 106911880
2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911983
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-oxo-1H-pyridine-3-carboxamide
CID 106913178
2-chloro-N-[3-(1,3-dioxolan-2-yl)phenyl]furan-3-carboxamide
CID 106913105
N-[3-(1,3-dioxolan-2-yl)phenyl]-6-fluoropyridine-2-carboxamide
CID 106911689
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide
CID 106913106

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide?
The IUPAC name of 3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide (CID 106911980) is 3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide is NC(CC(=O)Nc1cccc(C2OCCO2)c1)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide?
The InChIKey is AARYVJQTVLBELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-13(10-4-5-10)9-14(18)17-12-3-1-2-11(8-12)15-19-6-7-20-15/h1-3,8,10,13,15H,4-7,9,16H2,(H,17,18).
What are the key properties of 3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide?
3-amino-3-cyclopropyl-N-[3-(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-[3-(1,3-dioxolan-2-yl)phenyl]propanamide is sourced from PubChem (CID 106911980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).