2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide

C14H20N2O3 — CID 106911773

IUPAC2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C14H20N2O3/c1-2-10(9-15)13(17)16-12-5-3-11(4-6-12)14-18-7-8-19-14/h3-6,10,14H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyGUGGPKOKXRGNEQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.66
Rot. Bonds5

About 2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide

2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide (PubChem CID 106911773) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
PubChem CID106911773
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C14H20N2O3/c1-2-10(9-15)13(17)16-12-5-3-11(4-6-12)14-18-7-8-19-14/h3-6,10,14H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyGUGGPKOKXRGNEQ-UHFFFAOYSA-N
XLogP1.66
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide (CID 106911773) is 2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide is CCC(CN)C(=O)Nc1ccc(C2OCCO2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide?
The InChIKey is GUGGPKOKXRGNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-10(9-15)13(17)16-12-5-3-11(4-6-12)14-18-7-8-19-14/h3-6,10,14H,2,7-9,15H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide?
2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide has a molecular weight of 264.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide is sourced from PubChem (CID 106911773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).