3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide

C25H26N4O4 — CID 2430897

IUPAC3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CC(N)=NOCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N4O4/c1-32-21-15-9-8-14-20(21)27-23(30)16-22(26)29-33-17-24(31)28-25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,25H,16-17H2,1H3,(H2,26,29)(H,27,30)(H,28,31)
InChIKeyYZMAPRGLBANMBN-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.22
Rot. Bonds10

About 3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide

3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide (PubChem CID 2430897) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide
PubChem CID2430897
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CC(N)=NOCC(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H26N4O4/c1-32-21-15-9-8-14-20(21)27-23(30)16-22(26)29-33-17-24(31)28-25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,25H,16-17H2,1H3,(H2,26,29)(H,27,30)(H,28,31)
InChIKeyYZMAPRGLBANMBN-UHFFFAOYSA-N
XLogP3.22
TPSA115.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945965
[2-(2-methoxyanilino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 2356149
N-(2-methoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392871
(3S)-3-acetamido-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 41075346
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 1251511
2-(diaminomethylideneamino)-N-(2-methoxyphenyl)acetamide
CID 4991836
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
[2-(2-methoxyanilino)-2-oxoethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 8821265
2-(2-methoxyanilino)-N-[(S)-phenyl(pyridin-3-yl)methyl]acetamide
CID 96533957
2-[(E)-[amino-(3-fluoro-4-methylphenyl)methylidene]amino]oxy-N-(2-methoxyphenyl)acetamide
CID 87021676
2-[[2-(2-methoxyanilino)-2-oxoethyl]disulfanyl]-N-(2-methoxyphenyl)acetamide
CID 2346844
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide (CID 2430897) is 3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CC(N)=NOCC(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide?
The InChIKey is YZMAPRGLBANMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-32-21-15-9-8-14-20(21)27-23(30)16-22(26)29-33-17-24(31)28-25(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-15,25H,16-17H2,1H3,(H2,26,29)(H,27,30)(H,28,31).
What are the key properties of 3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide?
3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide has a molecular weight of 446.51 g/mol, XLogP of 3.22, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[2-(benzhydrylamino)-2-oxoethoxy]imino-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 2430897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).