2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide

C17H26N2O4 — CID 91537735

IUPAC2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCOCCNC(=O)C(Cc1ccccc1)N(C=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-19(13-20)15(16(21)18-10-11-22-4)12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H,18,21)
InChIKeyUEDQKMCKCLFTBW-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.55
Rot. Bonds9

About 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide

2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide (PubChem CID 91537735) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide
PubChem CID91537735
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide
SMILESCOCCNC(=O)C(Cc1ccccc1)N(C=O)OC(C)(C)C
InChIInChI=1S/C17H26N2O4/c1-17(2,3)23-19(13-20)15(16(21)18-10-11-22-4)12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H,18,21)
InChIKeyUEDQKMCKCLFTBW-UHFFFAOYSA-N
XLogP1.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-methoxyethyl)-2-methyl-3-phenylpropanamide
CID 141196582
2-[benzyl-[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 133213879
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 90945491
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
tert-butyl N-[(2R)-1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-methylcarbamate
CID 10494880
(2S)-2-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103795836
tert-butyl N-methyl-N-[(2S)-1-oxo-3-phenyl-1-(2-propylsulfanylethylamino)propan-2-yl]carbamate
CID 54376676
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-phenylpropanamide;hydrochloride
CID 119274169
tert-butyl N-(2-oxoethyl)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 57003733
2-amino-N-(3-methoxypropyl)-3-phenylpropanamide
CID 43153328
(2R)-2-(dimethylamino)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 95156104
2-[benzyl-[3-[4-(ethylsulfamoyl)phenyl]propanoyl]amino]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 133213817

Frequently Asked Questions

What is the IUPAC name of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide?
The IUPAC name of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide (CID 91537735) is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide.
What is the SMILES notation for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide?
The canonical SMILES for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide is COCCNC(=O)C(Cc1ccccc1)N(C=O)OC(C)(C)C.
What is the InChIKey of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide?
The InChIKey is UEDQKMCKCLFTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(2,3)23-19(13-20)15(16(21)18-10-11-22-4)12-14-8-6-5-7-9-14/h5-9,13,15H,10-12H2,1-4H3,(H,18,21).
What are the key properties of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide?
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide has a molecular weight of 322.41 g/mol, XLogP of 1.55, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-N-(2-methoxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 91537735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).