N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide

C15H21N3O3 — CID 76978544

IUPACN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C15H21N3O3/c1-21-13-8-3-2-5-10(13)9-14(19)17-12-7-4-6-11(12)15(16)18-20/h2-3,5,8,11-12,20H,4,6-7,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyGKBJERILOLEWOG-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.27
Rot. Bonds5

About N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide

N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 76978544) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
PubChem CID76978544
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC1CCCC1C(N)=NO
InChIInChI=1S/C15H21N3O3/c1-21-13-8-3-2-5-10(13)9-14(19)17-12-7-4-6-11(12)15(16)18-20/h2-3,5,8,11-12,20H,4,6-7,9H2,1H3,(H2,16,18)(H,17,19)
InChIKeyGKBJERILOLEWOG-UHFFFAOYSA-N
XLogP1.27
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
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

N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 103798304
2-ethoxy-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]benzamide
CID 76978574
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-phenylpropanamide
CID 76978572
1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]thiourea
CID 11945809
3-fluoro-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-4-methoxybenzamide
CID 76978535
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 81322034
cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 97028755
N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide
CID 62957100
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
2-cyclopropyl-N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]acetamide
CID 76978603
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713

Frequently Asked Questions

What is the IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide (CID 76978544) is N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC1CCCC1C(N)=NO.
What is the InChIKey of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is GKBJERILOLEWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-21-13-8-3-2-5-10(13)9-14(19)17-12-7-4-6-11(12)15(16)18-20/h2-3,5,8,11-12,20H,4,6-7,9H2,1H3,(H2,16,18)(H,17,19).
What are the key properties of N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide?
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 76978544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).