N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide

C14H20N4O3 — CID 76926369

IUPACN-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)Nc1ccc(NC(C)=O)cc1)C(N)=NO
InChIInChI=1S/C14H20N4O3/c1-3-4-12(13(15)18-21)14(20)17-11-7-5-10(6-8-11)16-9(2)19/h5-8,12,21H,3-4H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)
InChIKeySQBMSEVKCKGQDO-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.75
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide

N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 76926369) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID76926369
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)Nc1ccc(NC(C)=O)cc1)C(N)=NO
InChIInChI=1S/C14H20N4O3/c1-3-4-12(13(15)18-21)14(20)17-11-7-5-10(6-8-11)16-9(2)19/h5-8,12,21H,3-4H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)
InChIKeySQBMSEVKCKGQDO-UHFFFAOYSA-N
XLogP1.75
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-(N'-hydroxycarbamimidoyl)-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 76924719
N-(3-chlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926784
N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76924737
N-(4-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925907
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
N-[2-(dimethylamino)phenyl]-2-[(Z)-N'-hydroxycarbamimidoyl]pentanamide
CID 106760589
(2S)-N-(4-acetamidophenyl)-2-methylpentanamide
CID 670216
N-(4-fluoro-2-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76925914
N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76924711
N-(4-chloro-2-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926139
2-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)pentanamide
CID 104861584
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76925463

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 76926369) is N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCC(C(=O)Nc1ccc(NC(C)=O)cc1)C(N)=NO.
What is the InChIKey of N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is SQBMSEVKCKGQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-3-4-12(13(15)18-21)14(20)17-11-7-5-10(6-8-11)16-9(2)19/h5-8,12,21H,3-4H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20).
What are the key properties of N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 292.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide is sourced from PubChem (CID 76926369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).