N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide

C15H19N5O5 — CID 166953565

IUPACN-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)CNC(=O)CNC=O)cc1
InChIInChI=1S/C15H19N5O5/c16-12(22)6-20-15(25)11-3-1-10(2-4-11)5-18-14(24)8-19-13(23)7-17-9-21/h1-4,9H,5-8H2,(H2,16,22)(H,17,21)(H,18,24)(H,19,23)(H,20,25)
InChIKeyJBXZOZXJTAAJRC-UHFFFAOYSA-N
MW349.35 g/mol
LogP-2.62
Rot. Bonds10

About N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide

N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide (PubChem CID 166953565) has the molecular formula C15H19N5O5 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide
PubChem CID166953565
Molecular FormulaC15H19N5O5
Molecular Weight349.35 g/mol
Exact Mass349.14
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)CNC(=O)CNC=O)cc1
InChIInChI=1S/C15H19N5O5/c16-12(22)6-20-15(25)11-3-1-10(2-4-11)5-18-14(24)8-19-13(23)7-17-9-21/h1-4,9H,5-8H2,(H2,16,22)(H,17,21)(H,18,24)(H,19,23)(H,20,25)
InChIKeyJBXZOZXJTAAJRC-UHFFFAOYSA-N
XLogP-2.62
TPSA159.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 5-2.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 9295430
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
N-(2-amino-2-oxoethyl)-4-[[[(E)-3-[4-(methylcarbamoyl)phenyl]prop-2-enoyl]amino]methyl]benzamide
CID 46494292
4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119713155
N-(2-amino-2-oxoethyl)-4-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoylamino]methyl]benzamide
CID 46494458
N-(2-amino-2-oxoethyl)-4-[[4-(3-fluorophenoxy)butanoylamino]methyl]benzamide
CID 55960270
N-(2-amino-2-oxoethyl)-4-iodobenzamide
CID 60668486
4-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-(2-amino-2-oxoethyl)benzamide
CID 119713160
N-(2-aminophenyl)-4-[[(2-benzamidoacetyl)amino]methyl]benzamide
CID 141261205

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide (CID 166953565) is N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide is NC(=O)CNC(=O)c1ccc(CNC(=O)CNC(=O)CNC=O)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide?
The InChIKey is JBXZOZXJTAAJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5/c16-12(22)6-20-15(25)11-3-1-10(2-4-11)5-18-14(24)8-19-13(23)7-17-9-21/h1-4,9H,5-8H2,(H2,16,22)(H,17,21)(H,18,24)(H,19,23)(H,20,25).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide has a molecular weight of 349.35 g/mol, XLogP of -2.62, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[[[2-[(2-formamidoacetyl)amino]acetyl]amino]methyl]benzamide is sourced from PubChem (CID 166953565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).