N-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide

C23H22N4O4 — CID 85199807

IUPACN-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(C(N)=NO)c2)cc1
InChIInChI=1S/C23H22N4O4/c1-2-31-18-12-10-15(11-13-18)22(28)25-19-8-3-4-9-20(19)26-23(29)17-7-5-6-16(14-17)21(24)27-30/h3-14,30H,2H2,1H3,(H2,24,27)(H,25,28)(H,26,29)
InChIKeyWPGMAOLLABSNAK-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.68
Rot. Bonds7

About N-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide

N-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide (PubChem CID 85199807) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide
PubChem CID85199807
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(C(N)=NO)c2)cc1
InChIInChI=1S/C23H22N4O4/c1-2-31-18-12-10-15(11-13-18)22(28)25-19-8-3-4-9-20(19)26-23(29)17-7-5-6-16(14-17)21(24)27-30/h3-14,30H,2H2,1H3,(H2,24,27)(H,25,28)(H,26,29)
InChIKeyWPGMAOLLABSNAK-UHFFFAOYSA-N
XLogP3.68
TPSA126.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.68
H-Bond Donors ≤ 54
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]phenyl]benzamide
CID 4958088
3-(2-amino-2-oxoethoxy)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 35680500
benzyl 2-[4-[[3-[(E)-N'-hydroxycarbamimidoyl]benzoyl]amino]-3-[(4-propan-2-ylbenzoyl)amino]phenoxy]acetate
CID 10627063
benzyl 4-[(4-tert-butylbenzoyl)amino]-3-[[3-(N'-hydroxycarbamimidoyl)benzoyl]amino]benzoate
CID 54437202
N-(3-bromo-2-methylphenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 107637308
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
3-[(4-ethoxybenzoyl)amino]-N-methylbenzamide
CID 17233089
3-bromo-N-[5-(N'-hydroxycarbamimidoyl)-2-methylphenyl]benzamide
CID 76935570
N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide?
The IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide (CID 85199807) is N-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide.
What is the SMILES notation for N-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide?
The canonical SMILES for N-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide is CCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2cccc(C(N)=NO)c2)cc1.
What is the InChIKey of N-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide?
The InChIKey is WPGMAOLLABSNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-2-31-18-12-10-15(11-13-18)22(28)25-19-8-3-4-9-20(19)26-23(29)17-7-5-6-16(14-17)21(24)27-30/h3-14,30H,2H2,1H3,(H2,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide?
N-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide has a molecular weight of 418.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxybenzoyl)amino]phenyl]-3-(N'-hydroxycarbamimidoyl)benzamide is sourced from PubChem (CID 85199807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).