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

C15H29N3O3 — CID 76924998

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NC1CCC(O)CC1)C(N)=NO
InChIInChI=1S/C15H29N3O3/c1-3-9-15(10-4-2,13(16)18-21)14(20)17-11-5-7-12(19)8-6-11/h11-12,19,21H,3-10H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyWGTVMCBADUSWKQ-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.74
Rot. Bonds7

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

2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide (PubChem CID 76924998) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide
PubChem CID76924998
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)NC1CCC(O)CC1)C(N)=NO
InChIInChI=1S/C15H29N3O3/c1-3-9-15(10-4-2,13(16)18-21)14(20)17-11-5-7-12(19)8-6-11/h11-12,19,21H,3-10H2,1-2H3,(H2,16,18)(H,17,20)
InChIKeyWGTVMCBADUSWKQ-UHFFFAOYSA-N
XLogP1.74
TPSA107.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.74
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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Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide (CID 76924998) is 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide is CCCC(CCC)(C(=O)NC1CCC(O)CC1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide?
The InChIKey is WGTVMCBADUSWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-9-15(10-4-2,13(16)18-21)14(20)17-11-5-7-12(19)8-6-11/h11-12,19,21H,3-10H2,1-2H3,(H2,16,18)(H,17,20).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide?
2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide has a molecular weight of 299.42 g/mol, XLogP of 1.74, 7 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)-2-propylpentanamide is sourced from PubChem (CID 76924998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).