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

C15H22N2O3 — CID 106911813

IUPAC2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-3-8-15(2,16)14(18)17-12-6-4-11(5-7-12)13-19-9-10-20-13/h4-7,13H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyLBXHNASAKYTXRK-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.19
Rot. Bonds5

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

2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide (PubChem CID 106911813) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
PubChem CID106911813
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(C2OCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-3-8-15(2,16)14(18)17-12-6-4-11(5-7-12)13-19-9-10-20-13/h4-7,13H,3,8-10,16H2,1-2H3,(H,17,18)
InChIKeyLBXHNASAKYTXRK-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

2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide
CID 106911983
N-[4-(1,3-dioxolan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 110732799
4-[(2-amino-2-methylpentanoyl)amino]benzoic acid
CID 61156660
2-amino-2-methyl-N-[4-(propanoylamino)phenyl]pentanamide;hydrochloride
CID 119735835
methyl N-[4-[(2-amino-2-methylpentanoyl)amino]phenyl]carbamate
CID 60848240
2-amino-2-methyl-N-(4-methylsulfanylphenyl)pentanamide
CID 60848568
2-amino-N-(4-butylphenyl)-2-methylpentanamide
CID 54928789
2-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]pentanamide
CID 119712509
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylpentanamide
CID 60848779
2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide
CID 113357367
2-amino-N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpentanamide;hydrochloride
CID 119792370
N-[4-(1,3-dioxolan-2-yl)phenyl]-3-oxobutanamide
CID 106912038

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide (CID 106911813) is 2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ccc(C2OCCO2)cc1.
What is the InChIKey of 2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide?
The InChIKey is LBXHNASAKYTXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-8-15(2,16)14(18)17-12-6-4-11(5-7-12)13-19-9-10-20-13/h4-7,13H,3,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide?
2-amino-N-[4-(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-[4-(1,3-dioxolan-2-yl)phenyl]-2-methylpentanamide is sourced from PubChem (CID 106911813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).