N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide

C15H21NO4 — CID 110369967

IUPACN-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCC2OCCO2)cc1
InChIInChI=1S/C15H21NO4/c1-18-13-5-2-12(3-6-13)4-7-14(17)16-9-8-15-19-10-11-20-15/h2-3,5-6,15H,4,7-11H2,1H3,(H,16,17)
InChIKeyKDPHPASTTMEEIG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.51
Rot. Bonds7

About N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide

N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 110369967) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID110369967
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCC2OCCO2)cc1
InChIInChI=1S/C15H21NO4/c1-18-13-5-2-12(3-6-13)4-7-14(17)16-9-8-15-19-10-11-20-15/h2-3,5-6,15H,4,7-11H2,1H3,(H,16,17)
InChIKeyKDPHPASTTMEEIG-UHFFFAOYSA-N
XLogP1.51
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
3-(4-methoxyphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 60902718
3-(4-methoxyphenyl)-N-[2-(oxan-4-ylsulfanyl)ethyl]propanamide
CID 86265192
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 107301592
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
N-(5-bromopentyl)-3-(4-methoxyphenyl)propanamide
CID 107321632
N-(2-cyclohexylsulfanylethyl)-3-(4-methoxyphenyl)propanamide
CID 100591529
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide (CID 110369967) is N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCC2OCCO2)cc1.
What is the InChIKey of N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is KDPHPASTTMEEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-13-5-2-12(3-6-13)4-7-14(17)16-9-8-15-19-10-11-20-15/h2-3,5-6,15H,4,7-11H2,1H3,(H,16,17).
What are the key properties of N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxolan-2-yl)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 110369967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).