2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide

C22H28N2O4 — CID 57098978

IUPAC2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide
SMILESCOCC(Cc1ccc(-c2ccccc2)cc1)(C(N)=O)N(C=O)OC(C)(C)C
InChIInChI=1S/C22H28N2O4/c1-21(2,3)28-24(16-25)22(15-27-4,20(23)26)14-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3,(H2,23,26)
InChIKeyWNUJXHRXHHRQEK-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.96
Rot. Bonds9

About 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide

2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide (PubChem CID 57098978) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide.

Molecular Properties

Compound Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide
PubChem CID57098978
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide
SMILESCOCC(Cc1ccc(-c2ccccc2)cc1)(C(N)=O)N(C=O)OC(C)(C)C
InChIInChI=1S/C22H28N2O4/c1-21(2,3)28-24(16-25)22(15-27-4,20(23)26)14-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3,(H2,23,26)
InChIKeyWNUJXHRXHHRQEK-UHFFFAOYSA-N
XLogP2.96
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 87919991
N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide
CID 87102955
4-O-tert-butyl 1-O-methyl (2R)-3-[2-(4-phenylphenyl)acetyl]-2-propan-2-ylbutanedioate
CID 175104747
(4-phenylphenyl)methyl carbamate
CID 123751479
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
tert-butyl carbamate;1-methyl-4-phenylbenzene
CID 174572065
1-(2,2-dimethylpropyl)-4-phenylbenzene
CID 23381564
4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]benzoic acid
CID 19996362
methyl (2S)-3-amino-2-benzyl-2-methyl-3-oxopropanoate
CID 10933012
2-formamido-2-[(4-phenylphenyl)methyl]propanedioic acid
CID 146747104
3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one
CID 100928850
diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate
CID 67230867

Frequently Asked Questions

What is the IUPAC name of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide?
The IUPAC name of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide (CID 57098978) is 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide.
What is the SMILES notation for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide?
The canonical SMILES for 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide is COCC(Cc1ccc(-c2ccccc2)cc1)(C(N)=O)N(C=O)OC(C)(C)C.
What is the InChIKey of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide?
The InChIKey is WNUJXHRXHHRQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-21(2,3)28-24(16-25)22(15-27-4,20(23)26)14-17-10-12-19(13-11-17)18-8-6-5-7-9-18/h5-13,16H,14-15H2,1-4H3,(H2,23,26).
What are the key properties of 2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide?
2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 2.96, 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]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide is sourced from PubChem (CID 57098978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).