3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide

C20H26N4O3Si — CID 174064367

IUPAC3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide
SMILES[H]/N=C(\N)CC(=O)NC(C(=O)Nc1ccc([SiH](C)C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N4O3Si/c1-27-15-8-4-13(5-9-15)19(24-18(25)12-17(21)22)20(26)23-14-6-10-16(11-7-14)28(2)3/h4-11,19,28H,12H2,1-3H3,(H3,21,22)(H,23,26)(H,24,25)
InChIKeyNRHOLBHTSJTLRS-UHFFFAOYSA-N
MW398.54 g/mol
LogP1.51
Rot. Bonds8

About 3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide

3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide (PubChem CID 174064367) has the molecular formula C20H26N4O3Si and a molecular weight of 398.54 g/mol. Its IUPAC name is 3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide
PubChem CID174064367
Molecular FormulaC20H26N4O3Si
Molecular Weight398.54 g/mol
Exact Mass398.18
IUPAC Name3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide
SMILES[H]/N=C(\N)CC(=O)NC(C(=O)Nc1ccc([SiH](C)C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C20H26N4O3Si/c1-27-15-8-4-13(5-9-15)19(24-18(25)12-17(21)22)20(26)23-14-6-10-16(11-7-14)28(2)3/h4-11,19,28H,12H2,1-3H3,(H3,21,22)(H,23,26)(H,24,25)
InChIKeyNRHOLBHTSJTLRS-UHFFFAOYSA-N
XLogP1.51
TPSA117.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.54
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1-hydroxycyclopentyl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 154406834
3-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-[4-(trimethyl-λ4-sulfanyl)anilino]ethyl]propanamide
CID 129055214
2-[(2-methoxyacetyl)amino]-2-(4-methoxyphenyl)acetamide
CID 75080759
N-(4-methoxyphenyl)-2-phenyl-2-[(2-thiophen-2-ylacetyl)amino]acetamide
CID 3378615
methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate
CID 166416138
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129055040
2-(4-methoxyphenyl)-2-[[2-(tetrazol-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129054930
3-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-3-iminopropanamide
CID 99990591
2-(4-methoxyphenyl)-2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129055039
2-[[2-(2,5-dioxoimidazolidin-4-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-(4-trimethylsilylphenyl)acetamide
CID 140781338
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
2-[[2-(2-ethylimidazol-1-yl)acetyl]amino]-2-(4-methoxyphenyl)-N-[4-(trimethyl-λ4-sulfanyl)phenyl]acetamide
CID 129055226

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide?
The IUPAC name of 3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide (CID 174064367) is 3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide.
What is the SMILES notation for 3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide?
The canonical SMILES for 3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide is [H]/N=C(\N)CC(=O)NC(C(=O)Nc1ccc([SiH](C)C)cc1)c1ccc(OC)cc1.
What is the InChIKey of 3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide?
The InChIKey is NRHOLBHTSJTLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3Si/c1-27-15-8-4-13(5-9-15)19(24-18(25)12-17(21)22)20(26)23-14-6-10-16(11-7-14)28(2)3/h4-11,19,28H,12H2,1-3H3,(H3,21,22)(H,23,26)(H,24,25).
What are the key properties of 3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide?
3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide has a molecular weight of 398.54 g/mol, XLogP of 1.51, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-dimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-3-iminopropanamide is sourced from PubChem (CID 174064367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).