N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide

C17H26N2O4 — CID 86861957

IUPACN-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide
SMILESCCC(=O)NCC(=O)Nc1cccc(COCCOC(C)C)c1
InChIInChI=1S/C17H26N2O4/c1-4-16(20)18-11-17(21)19-15-7-5-6-14(10-15)12-22-8-9-23-13(2)3/h5-7,10,13H,4,8-9,11-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyIMKLSMGNMXFLBO-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.09
Rot. Bonds10

About N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide

N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide (PubChem CID 86861957) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide
PubChem CID86861957
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide
SMILESCCC(=O)NCC(=O)Nc1cccc(COCCOC(C)C)c1
InChIInChI=1S/C17H26N2O4/c1-4-16(20)18-11-17(21)19-15-7-5-6-14(10-15)12-22-8-9-23-13(2)3/h5-7,10,13H,4,8-9,11-12H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyIMKLSMGNMXFLBO-UHFFFAOYSA-N
XLogP2.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.09
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

3-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]butanamide
CID 119754191
2-methyl-3-(methylamino)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 119754179
3-(2-oxo-1-pyridinyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 86857686
1-amino-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]cyclopentane-1-carboxamide
CID 119306444
2-amino-2-phenyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]propanamide
CID 120590524
2-ethyl-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 86857677
N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 119754199
4-(methoxymethyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]piperidine-4-carboxamide
CID 120626246
2-(2-methoxyethylamino)-N-[3-(propan-2-yloxymethyl)phenyl]acetamide;hydrochloride
CID 119753968
3-[[3-(2-propan-2-yloxyethoxymethyl)anilino]methyl]benzoic acid
CID 122029725
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
N-[3-(2-methoxyethoxymethyl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60927722

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide?
The IUPAC name of N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide (CID 86861957) is N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide.
What is the SMILES notation for N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide?
The canonical SMILES for N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide is CCC(=O)NCC(=O)Nc1cccc(COCCOC(C)C)c1.
What is the InChIKey of N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide?
The InChIKey is IMKLSMGNMXFLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-4-16(20)18-11-17(21)19-15-7-5-6-14(10-15)12-22-8-9-23-13(2)3/h5-7,10,13H,4,8-9,11-12H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide?
N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 2.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[3-(2-propan-2-yloxyethoxymethyl)anilino]ethyl]propanamide is sourced from PubChem (CID 86861957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).