N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide

C14H21N3O2 — CID 76924737

IUPACN-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)Nc1ccccc1CC)C(N)=NO
InChIInChI=1S/C14H21N3O2/c1-3-7-11(13(15)17-19)14(18)16-12-9-6-5-8-10(12)4-2/h5-6,8-9,11,19H,3-4,7H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyUKGMGDVATPLXBJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.35
Rot. Bonds6

About N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide

N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide (PubChem CID 76924737) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
PubChem CID76924737
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
SMILESCCCC(C(=O)Nc1ccccc1CC)C(N)=NO
InChIInChI=1S/C14H21N3O2/c1-3-7-11(13(15)17-19)14(18)16-12-9-6-5-8-10(12)4-2/h5-6,8-9,11,19H,3-4,7H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyUKGMGDVATPLXBJ-UHFFFAOYSA-N
XLogP2.35
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(dimethylamino)phenyl]-2-[(Z)-N'-hydroxycarbamimidoyl]pentanamide
CID 106760589
N-(2,3-dichlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76925185
N-(4-acetamidophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926369
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylphenyl)methyl]pentanamide
CID 76925362
N-[(2-fluorophenyl)methyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76925463
N-[2-(2-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926629
N-(3-chlorophenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926784
N-(2-tert-butylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77034566
2-(N'-hydroxycarbamimidoyl)-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 76924719
2-(N'-hydroxycarbamimidoyl)-N-(3-phenylpropyl)pentanamide
CID 76925665
N-(2,3-dimethylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925032
N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76924711

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The IUPAC name of N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide (CID 76924737) is N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide is CCCC(C(=O)Nc1ccccc1CC)C(N)=NO.
What is the InChIKey of N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
The InChIKey is UKGMGDVATPLXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-7-11(13(15)17-19)14(18)16-12-9-6-5-8-10(12)4-2/h5-6,8-9,11,19H,3-4,7H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide?
N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide has a molecular weight of 263.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide is sourced from PubChem (CID 76924737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).