N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide

C15H21NO3 — CID 103762597

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC2COC(C)(C)O2)cc1
InChIInChI=1S/C15H21NO3/c1-11-4-6-12(7-5-11)8-14(17)16-9-13-10-18-15(2,3)19-13/h4-7,13H,8-10H2,1-3H3,(H,16,17)
InChIKeyCAIXQIABVBUOFJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.81
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide (PubChem CID 103762597) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide
PubChem CID103762597
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)NCC2COC(C)(C)O2)cc1
InChIInChI=1S/C15H21NO3/c1-11-4-6-12(7-5-11)8-14(17)16-9-13-10-18-15(2,3)19-13/h4-7,13H,8-10H2,1-3H3,(H,16,17)
InChIKeyCAIXQIABVBUOFJ-UHFFFAOYSA-N
XLogP1.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-2-phenylacetamide
CID 531986
3-phenyl-N-(tetrahydro-2-furanylmethyl)butanamide
CID 2914304
(S)-N-(2-oxotetrahydrofuran-3-yl)-3-p-tolylpropanamide
CID 44581743
(2R)-N-[2-(2-hydroxyethoxy)ethyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 9922143
(2R)-N-(2-methoxyethyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11219252
(2R)-N-[(2R)-1-methoxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11254428
(2R)-N-[(2S)-1-methoxypropan-2-yl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11300383
(2R)-2-[4-(2-methylpropyl)phenyl]-N-(oxolan-3-yl)propanamide
CID 11471362
2-(3-methylphenyl)-N-(3-propan-2-yloxypropyl)acetamide
CID 17144553
2-methyl-N-(oxolan-2-ylmethyl)-2-phenylpropanamide
CID 51075738
N-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-3-phenylpropanamide
CID 18583799
N-(2-hydroxy-3-methoxy-2-methylpropyl)-2-(m-tolyl)acetamide
CID 56724186

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide (CID 103762597) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)NCC2COC(C)(C)O2)cc1.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide?
The InChIKey is CAIXQIABVBUOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-4-6-12(7-5-11)8-14(17)16-9-13-10-18-15(2,3)19-13/h4-7,13H,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 103762597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).