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

C15H20N2O3 — CID 5037282

IUPAC2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CC1(C)OCCO1)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O3/c1-11-4-6-13(7-5-11)12(2)16-17-14(18)10-15(3)19-8-9-20-15/h4-7H,8-10H2,1-3H3,(H,17,18)
InChIKeyKNDSERRAJKPRCL-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.99
Rot. Bonds4

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

2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide (PubChem CID 5037282) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
PubChem CID5037282
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
SMILESCC(=NNC(=O)CC1(C)OCCO1)c1ccc(C)cc1
InChIInChI=1S/C15H20N2O3/c1-11-4-6-13(7-5-11)12(2)16-17-14(18)10-15(3)19-8-9-20-15/h4-7H,8-10H2,1-3H3,(H,17,18)
InChIKeyKNDSERRAJKPRCL-UHFFFAOYSA-N
XLogP1.99
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 5415380
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 873045
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methyl-1,3-dithiolan-2-yl)acetamide
CID 126273536
2-(1,3-benzodioxol-5-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 126050691
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 5457542
N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 44722878
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 124546527
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]propanamide
CID 5392898
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
2-methyl-1-N,1-N'-bis[(E)-1-(4-methylphenyl)ethylideneamino]prop-1-ene-1,1-diamine
CID 166987269

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide (CID 5037282) is 2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide is CC(=NNC(=O)CC1(C)OCCO1)c1ccc(C)cc1.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
The InChIKey is KNDSERRAJKPRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-4-6-13(7-5-11)12(2)16-17-14(18)10-15(3)19-8-9-20-15/h4-7H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide?
2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxolan-2-yl)-N-[1-(4-methylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 5037282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).