2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide

C11H21N3O3 — CID 76925140

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide
SMILESCCC(C(=O)NC1CCC(O)CC1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-2-9(10(12)14-17)11(16)13-7-3-5-8(15)6-4-7/h7-9,15,17H,2-6H2,1H3,(H2,12,14)(H,13,16)
InChIKeyXVKCOYJHTWDPRC-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.18
Rot. Bonds4

About 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide

2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide (PubChem CID 76925140) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide
PubChem CID76925140
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide
SMILESCCC(C(=O)NC1CCC(O)CC1)C(N)=NO
InChIInChI=1S/C11H21N3O3/c1-2-9(10(12)14-17)11(16)13-7-3-5-8(15)6-4-7/h7-9,15,17H,2-6H2,1H3,(H2,12,14)(H,13,16)
InChIKeyXVKCOYJHTWDPRC-UHFFFAOYSA-N
XLogP0.18
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.18
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

N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925874
2-(N'-hydroxycarbamimidoyl)-N-(4-methylcyclohexyl)butanamide
CID 76924596
2-(N'-hydroxycarbamimidoyl)-N-(4-propylcyclohexyl)butanamide
CID 76926843
N-(4,4-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 77037476
2-[(Z)-N'-hydroxycarbamimidoyl]-N-(2-hydroxycyclohexyl)butanamide
CID 55064087
N-cyclopentyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926462
2-(N'-hydroxycarbamimidoyl)-N-(2-methylcyclohexyl)butanamide
CID 76924883
N-cycloheptyl-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76926807
N-(2,3-dihydro-1H-inden-2-yl)-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107856119
N-(1-ethylpiperidin-3-yl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926414
2-(N'-hydroxycarbamimidoyl)-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butanamide
CID 76939422
N-(2,2-dimethylcyclohexyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 79872938

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide (CID 76925140) is 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide is CCC(C(=O)NC1CCC(O)CC1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide?
The InChIKey is XVKCOYJHTWDPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-2-9(10(12)14-17)11(16)13-7-3-5-8(15)6-4-7/h7-9,15,17H,2-6H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide?
2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide has a molecular weight of 243.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)butanamide is sourced from PubChem (CID 76925140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).