2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide

C13H23N3O2 — CID 76909881

IUPAC2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide
SMILESNC(=NO)C1(NC(=O)CC2CC2)CCCCCC1
InChIInChI=1S/C13H23N3O2/c14-12(16-18)13(7-3-1-2-4-8-13)15-11(17)9-10-5-6-10/h10,18H,1-9H2,(H2,14,16)(H,15,17)
InChIKeyHPNLMPAUISYCGW-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.74
Rot. Bonds4

About 2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide

2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide (PubChem CID 76909881) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide
PubChem CID76909881
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide
SMILESNC(=NO)C1(NC(=O)CC2CC2)CCCCCC1
InChIInChI=1S/C13H23N3O2/c14-12(16-18)13(7-3-1-2-4-8-13)15-11(17)9-10-5-6-10/h10,18H,1-9H2,(H2,14,16)(H,15,17)
InChIKeyHPNLMPAUISYCGW-UHFFFAOYSA-N
XLogP1.74
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.74
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

2-cyclobutyl-N-[4-(N'-hydroxycarbamimidoyl)-1-methylpiperidin-4-yl]acetamide
CID 103166098
4,4,4-trifluoro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]butanamide
CID 77099659
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methoxypropanamide
CID 76946958
1-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 119735695
N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940428
1-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 60748185
1-(cyclopropylmethylsulfonylamino)-N'-hydroxycyclooctane-1-carboximidamide
CID 77052442
3-ethoxy-N-[1-(N'-hydroxycarbamimidoyl)cyclooctyl]propanamide
CID 76947053
1-[[2-(cyclopropylmethylamino)acetyl]amino]cyclohexane-1-carboxamide;hydrochloride
CID 119735692
N-[1-(N'-hydroxycarbamimidoyl)cyclopentyl]-3-methylpentanamide
CID 104982293
N-[1-(N'-hydroxycarbamimidoyl)cyclohexyl]thiolane-2-carboxamide
CID 77021518

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide?
The IUPAC name of 2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide (CID 76909881) is 2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide?
The canonical SMILES for 2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide is NC(=NO)C1(NC(=O)CC2CC2)CCCCCC1.
What is the InChIKey of 2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide?
The InChIKey is HPNLMPAUISYCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-12(16-18)13(7-3-1-2-4-8-13)15-11(17)9-10-5-6-10/h10,18H,1-9H2,(H2,14,16)(H,15,17).
What are the key properties of 2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide?
2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide has a molecular weight of 253.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]acetamide is sourced from PubChem (CID 76909881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).