N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide

C19H27N3O5 — CID 1282390

IUPACN-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(C=NNC(=O)CC2(C)OCCO2)cc1
InChIInChI=1S/C19H27N3O5/c1-18(2,3)21-17(24)13-25-15-7-5-14(6-8-15)12-20-22-16(23)11-19(4)26-9-10-27-19/h5-8,12H,9-11,13H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyOXQNEOWBQUHAIG-UHFFFAOYSA-N
MW377.44 g/mol
LogP1.58
Rot. Bonds7

About N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide

N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide (PubChem CID 1282390) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
PubChem CID1282390
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC NameN-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
SMILESCC(C)(C)NC(=O)COc1ccc(C=NNC(=O)CC2(C)OCCO2)cc1
InChIInChI=1S/C19H27N3O5/c1-18(2,3)21-17(24)13-25-15-7-5-14(6-8-15)12-20-22-16(23)11-19(4)26-9-10-27-19/h5-8,12H,9-11,13H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyOXQNEOWBQUHAIG-UHFFFAOYSA-N
XLogP1.58
TPSA98.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-tert-butyl-2-[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenoxy]acetamide
CID 126003683
N-[(Z)-(4-cyanophenyl)methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 5394099
methyl 4-[[[2-(2-methyl-1,3-dioxolan-2-yl)acetyl]hydrazinylidene]methyl]benzoate
CID 762041
2-(4-tert-butylphenoxy)-N-[(E)-(4-tert-butylphenyl)methylideneamino]acetamide
CID 19173269
N-tert-butyl-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832282
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide
CID 136713309
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
2-(4-tert-butylphenoxy)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 5419819
2-(4-tert-butylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 2353273
2-(4-tert-butylphenoxy)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 6141982
2-(2-methyl-1,3-dioxolan-2-yl)-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21370425
N'-[(Z)-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]methylideneamino]-N-tert-butyloxamide
CID 94832283

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide?
The IUPAC name of N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide (CID 1282390) is N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide.
What is the SMILES notation for N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide?
The canonical SMILES for N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide is CC(C)(C)NC(=O)COc1ccc(C=NNC(=O)CC2(C)OCCO2)cc1.
What is the InChIKey of N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide?
The InChIKey is OXQNEOWBQUHAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-18(2,3)21-17(24)13-25-15-7-5-14(6-8-15)12-20-22-16(23)11-19(4)26-9-10-27-19/h5-8,12H,9-11,13H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide?
N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylideneamino]-2-(2-methyl-1,3-dioxolan-2-yl)acetamide is sourced from PubChem (CID 1282390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).