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

C15H22N2O3 — CID 106911983

IUPAC2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(C2OCCO2)c1
InChIInChI=1S/C15H22N2O3/c1-3-7-15(2,16)14(18)17-12-6-4-5-11(10-12)13-19-8-9-20-13/h4-6,10,13H,3,7-9,16H2,1-2H3,(H,17,18)
InChIKeyGXUWZLVMBSYJTR-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.19
Rot. Bonds5

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

2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide (PubChem CID 106911983) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
PubChem CID106911983
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1cccc(C2OCCO2)c1
InChIInChI=1S/C15H22N2O3/c1-3-7-15(2,16)14(18)17-12-6-4-5-11(10-12)13-19-8-9-20-13/h4-6,10,13H,3,7-9,16H2,1-2H3,(H,17,18)
InChIKeyGXUWZLVMBSYJTR-UHFFFAOYSA-N
XLogP2.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-ethyl-N-[3-(propan-2-yloxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 99636163
N-[4-[[3-(1,3-dioxolan-2-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 100720252
N-{3-[5,5-dimethyl-4-(propan-2-yl)-1,3-dioxan-2-yl]phenyl}cyclopropanecarboxamide
CID 4009241
3-(1,3-Dioxolan-2-yl)-N-(4-methylphenyl)benzenamine
CID 135053681
N-[5-(1,3-dioxolan-2-yl)-2-fluorophenyl]acetamide
CID 13517107
2,2,2-trifluoro-N-[4-fluoro-3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide
CID 15048252
2,2,2-trifluoro-N-[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]acetamide
CID 15048253
3-(2-fluorophenyl)-N-[3-(4,4,5,5-tetramethyl-1,3-dioxolan-2-yl)phenyl]propanamide
CID 17234104
2-amino-3,3,3-trifluoro-N-[3-(methoxymethyl)phenyl]-2-methylpropanamide
CID 79796725
2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide
CID 106911804
N-[3-(1,3-dioxolan-2-yl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 106911948
2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-3,3,3-trifluoro-2-methylpropanamide
CID 106911974

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide (CID 106911983) is 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1cccc(C2OCCO2)c1.
What is the InChIKey of 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide?
The InChIKey is GXUWZLVMBSYJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-7-15(2,16)14(18)17-12-6-4-5-11(10-12)13-19-8-9-20-13/h4-6,10,13H,3,7-9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide?
2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide has a molecular weight of 278.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide is sourced from PubChem (CID 106911983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).