N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide

C18H28N2O4 — CID 86829840

IUPACN-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCOCCOc1cccc(CNC(=O)CNC(=O)CC(C)(C)C)c1
InChIInChI=1S/C18H28N2O4/c1-18(2,3)11-16(21)20-13-17(22)19-12-14-6-5-7-15(10-14)24-9-8-23-4/h5-7,10H,8-9,11-13H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyDISGGEPAUGSVEV-UHFFFAOYSA-N
MW336.43 g/mol
LogP1.88
Rot. Bonds9

About N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide

N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide (PubChem CID 86829840) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
PubChem CID86829840
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
SMILESCOCCOc1cccc(CNC(=O)CNC(=O)CC(C)(C)C)c1
InChIInChI=1S/C18H28N2O4/c1-18(2,3)11-16(21)20-13-17(22)19-12-14-6-5-7-15(10-14)24-9-8-23-4/h5-7,10H,8-9,11-13H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyDISGGEPAUGSVEV-UHFFFAOYSA-N
XLogP1.88
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[[N-[[3-(2-methoxyethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111382733
3-amino-N-[[3-(2-methoxyethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119289322
2-(4-aminophenyl)-N-[[3-(2-methoxyethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119723299
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(4-nitrophenyl)acetamide
CID 87005469
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
N-[[3-(hydroxymethyl)phenyl]methyl]-3,3-dimethylbutanamide
CID 63310818
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 104560645
(3-ethylphenyl) 2-(3,3-dimethylbutanoylamino)acetate
CID 110670885
(2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 25171374
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
5-[[3-(2-methoxyethoxy)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120688954

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide (CID 86829840) is N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide is COCCOc1cccc(CNC(=O)CNC(=O)CC(C)(C)C)c1.
What is the InChIKey of N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide?
The InChIKey is DISGGEPAUGSVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-18(2,3)11-16(21)20-13-17(22)19-12-14-6-5-7-15(10-14)24-9-8-23-4/h5-7,10H,8-9,11-13H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide?
N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide has a molecular weight of 336.43 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 86829840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).