N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol

C22H28N4O5 — CID 169262499

IUPACN'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol
SMILESCC(=O)N(C=O)c1ccc(CCNC(=O)C(=O)NCCc2ccc(N)cc2)cc1.CO
InChIInChI=1S/C21H24N4O4.CH4O/c1-15(27)25(14-26)19-8-4-17(5-9-19)11-13-24-21(29)20(28)23-12-10-16-2-6-18(22)7-3-16;1-2/h2-9,14H,10-13,22H2,1H3,(H,23,28)(H,24,29);2H,1H3
InChIKeyKURAMAYJAPWXTP-UHFFFAOYSA-N
MW428.49 g/mol
LogP0.40
Rot. Bonds8

About N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol

N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol (PubChem CID 169262499) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol.

Molecular Properties

Compound NameN'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol
PubChem CID169262499
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC NameN'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol
SMILESCC(=O)N(C=O)c1ccc(CCNC(=O)C(=O)NCCc2ccc(N)cc2)cc1.CO
InChIInChI=1S/C21H24N4O4.CH4O/c1-15(27)25(14-26)19-8-4-17(5-9-19)11-13-24-21(29)20(28)23-12-10-16-2-6-18(22)7-3-16;1-2/h2-9,14H,10-13,22H2,1H3,(H,23,28)(H,24,29);2H,1H3
InChIKeyKURAMAYJAPWXTP-UHFFFAOYSA-N
XLogP0.40
TPSA141.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-2-oxopropanamide
CID 110478416
N-[2-(4-aminophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119549524
CID 23389090
CID 23389090
6-[2-(4-aminophenyl)ethylamino]-6-oxohexanoic acid
CID 110483471
N-[2-[4-(dimethylamino)phenyl]ethyl]-N'-prop-2-enyloxamide
CID 16891475
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
N-[2-(4-aminophenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 119547405
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
N-[2-(4-aminophenyl)ethyl]-2-cyclobutylacetamide
CID 113265633
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503034

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol?
The IUPAC name of N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol (CID 169262499) is N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol.
What is the SMILES notation for N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol?
The canonical SMILES for N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol is CC(=O)N(C=O)c1ccc(CCNC(=O)C(=O)NCCc2ccc(N)cc2)cc1.CO.
What is the InChIKey of N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol?
The InChIKey is KURAMAYJAPWXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4.CH4O/c1-15(27)25(14-26)19-8-4-17(5-9-19)11-13-24-21(29)20(28)23-12-10-16-2-6-18(22)7-3-16;1-2/h2-9,14H,10-13,22H2,1H3,(H,23,28)(H,24,29);2H,1H3.
What are the key properties of N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol?
N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol has a molecular weight of 428.49 g/mol, XLogP of 0.40, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-[acetyl(formyl)amino]phenyl]ethyl]-N-[2-(4-aminophenyl)ethyl]oxamide;methanol is sourced from PubChem (CID 169262499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).