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

C15H22N2O3 — CID 106911721

IUPAC3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-2-11(10-16)9-14(18)17-13-5-3-12(4-6-13)15-19-7-8-20-15/h3-6,11,15H,2,7-10,16H2,1H3,(H,17,18)
InChIKeyCCQSYXPJPQNPLR-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.05
Rot. Bonds6

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

3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide (PubChem CID 106911721) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide
PubChem CID106911721
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide
SMILESCCC(CN)CC(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-2-11(10-16)9-14(18)17-13-5-3-12(4-6-13)15-19-7-8-20-15/h3-6,11,15H,2,7-10,16H2,1H3,(H,17,18)
InChIKeyCCQSYXPJPQNPLR-UHFFFAOYSA-N
XLogP2.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106911773
3-(aminomethyl)-N-(4-fluorophenyl)pentanamide
CID 81071989
3-(aminomethyl)-N-(4-iodophenyl)pentanamide
CID 81070652
3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911810
N-(4-acetylphenyl)-3-(aminomethyl)pentanamide
CID 81086671
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-oxobutanamide
CID 106912038
3-(aminomethyl)-N-pyridin-4-ylpentanamide
CID 81070382
3-(aminomethyl)-N-(4-sulfamoylphenyl)pentanamide
CID 81070870
2-(2-aminoethoxy)-N-[4-(1,3-dioxolan-2-yl)phenyl]acetamide
CID 106911779
3-(aminomethyl)-N-[4-(dimethylsulfamoyl)phenyl]pentanamide
CID 81070137
N-[4-(1,3-dioxolan-2-yl)phenyl]-2-phenylacetamide
CID 110732815
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 106911857

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide (CID 106911721) is 3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide is CCC(CN)CC(=O)Nc1ccc(C2OCCO2)cc1.
What is the InChIKey of 3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide?
The InChIKey is CCQSYXPJPQNPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-11(10-16)9-14(18)17-13-5-3-12(4-6-13)15-19-7-8-20-15/h3-6,11,15H,2,7-10,16H2,1H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide?
3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide has a molecular weight of 278.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]pentanamide is sourced from PubChem (CID 106911721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).