4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide

C19H29NO3 — CID 110355247

IUPAC4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide
SMILESCc1ccc(C(CC(=O)NCCC2(C)OCCO2)C(C)C)cc1
InChIInChI=1S/C19H29NO3/c1-14(2)17(16-7-5-15(3)6-8-16)13-18(21)20-10-9-19(4)22-11-12-23-19/h5-8,14,17H,9-13H2,1-4H3,(H,20,21)
InChIKeyWRUFXMRUJUCBOZ-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.39
Rot. Bonds7

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

4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide (PubChem CID 110355247) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide
PubChem CID110355247
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide
SMILESCc1ccc(C(CC(=O)NCCC2(C)OCCO2)C(C)C)cc1
InChIInChI=1S/C19H29NO3/c1-14(2)17(16-7-5-15(3)6-8-16)13-18(21)20-10-9-19(4)22-11-12-23-19/h5-8,14,17H,9-13H2,1-4H3,(H,20,21)
InChIKeyWRUFXMRUJUCBOZ-UHFFFAOYSA-N
XLogP3.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[2-(2-methyl-1,3-dioxan-2-yl)ethyl]benzamide
CID 110369745
N-(2-methoxyethyl)-4-methyl-3-(4-methylphenyl)pentanamide
CID 110355408
4-methyl-N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-3-(4-methylphenyl)pentanamide
CID 110354876
3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359284
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide
CID 110354079
4-fluoro-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359272
N-[2-[2,2-dimethyl-4-(3-methylbutyl)oxan-4-yl]ethyl]-4-methyl-3-(4-propan-2-yloxyphenyl)pentanamide
CID 3754974
2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
CID 110357017
2,3-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinoxaline-6-carboxamide
CID 110357024
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110611909
methyl N-[3-methyl-2-(4-methylphenyl)butyl]carbamate
CID 123813154
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)ethyl]-4-methylpentanamide
CID 110374416

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide?
The IUPAC name of 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide (CID 110355247) is 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide.
What is the SMILES notation for 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide?
The canonical SMILES for 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide is Cc1ccc(C(CC(=O)NCCC2(C)OCCO2)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide?
The InChIKey is WRUFXMRUJUCBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-14(2)17(16-7-5-15(3)6-8-16)13-18(21)20-10-9-19(4)22-11-12-23-19/h5-8,14,17H,9-13H2,1-4H3,(H,20,21).
What are the key properties of 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide?
4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide has a molecular weight of 319.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-(4-methylphenyl)pentanamide is sourced from PubChem (CID 110355247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).