N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide

C16H23N3O2 — CID 77020413

IUPACN-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(C(N)=NO)cc1)C1CCCC1
InChIInChI=1S/C16H23N3O2/c1-11(13-4-2-3-5-13)18-15(20)10-12-6-8-14(9-7-12)16(17)19-21/h6-9,11,13,21H,2-5,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyJWWRQYSTUCFPLB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.02
Rot. Bonds5

About N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide

N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide (PubChem CID 77020413) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
PubChem CID77020413
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide
SMILESCC(NC(=O)Cc1ccc(C(N)=NO)cc1)C1CCCC1
InChIInChI=1S/C16H23N3O2/c1-11(13-4-2-3-5-13)18-15(20)10-12-6-8-14(9-7-12)16(17)19-21/h6-9,11,13,21H,2-5,10H2,1H3,(H2,17,19)(H,18,20)
InChIKeyJWWRQYSTUCFPLB-UHFFFAOYSA-N
XLogP2.02
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.02
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-(3,3-dimethylbutan-2-yl)-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]acetamide
CID 104829523
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 77001782
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(oxan-4-yl)acetamide
CID 77001460
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methylpyrrolidin-3-yl)acetamide
CID 77001325
4-[2-[[(1R)-1-cyclopentylethyl]amino]ethoxy]-N'-hydroxybenzenecarboximidamide
CID 81389569
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107420165
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809
4-[[[(1S)-1-cyclopentylethyl]amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 104930170
methyl (2S)-2-cyclohexyl-2-[[(2R)-2-cyclohexyl-3-[4-(N'-hydroxycarbamimidoyl)phenyl]propanoyl]amino]acetate
CID 56990078
3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
CID 115341674
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(1-methoxybutan-2-yl)acetamide
CID 77035835
4-[[[(1R)-1-cyclohexylethyl]amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 104930169

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide?
The IUPAC name of N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide (CID 77020413) is N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide.
What is the SMILES notation for N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide?
The canonical SMILES for N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide is CC(NC(=O)Cc1ccc(C(N)=NO)cc1)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide?
The InChIKey is JWWRQYSTUCFPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(13-4-2-3-5-13)18-15(20)10-12-6-8-14(9-7-12)16(17)19-21/h6-9,11,13,21H,2-5,10H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide?
N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-2-[4-(N'-hydroxycarbamimidoyl)phenyl]acetamide is sourced from PubChem (CID 77020413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).