N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide

C16H31N3O2 — CID 76925166

IUPACN-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)N(C)C1CCCCC1)C(N)=NO
InChIInChI=1S/C16H31N3O2/c1-4-11-16(12-5-2,14(17)18-21)15(20)19(3)13-9-7-6-8-10-13/h13,21H,4-12H2,1-3H3,(H2,17,18)
InChIKeyCKIJPXAHGMWDDJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.11
Rot. Bonds7

About N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide

N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide (PubChem CID 76925166) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide
PubChem CID76925166
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)N(C)C1CCCCC1)C(N)=NO
InChIInChI=1S/C16H31N3O2/c1-4-11-16(12-5-2,14(17)18-21)15(20)19(3)13-9-7-6-8-10-13/h13,21H,4-12H2,1-3H3,(H2,17,18)
InChIKeyCKIJPXAHGMWDDJ-UHFFFAOYSA-N
XLogP3.11
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide?
The IUPAC name of N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide (CID 76925166) is N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide.
What is the SMILES notation for N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide?
The canonical SMILES for N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide is CCCC(CCC)(C(=O)N(C)C1CCCCC1)C(N)=NO.
What is the InChIKey of N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide?
The InChIKey is CKIJPXAHGMWDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-11-16(12-5-2,14(17)18-21)15(20)19(3)13-9-7-6-8-10-13/h13,21H,4-12H2,1-3H3,(H2,17,18).
What are the key properties of N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide?
N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide has a molecular weight of 297.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide is sourced from PubChem (CID 76925166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).