2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide

C15H29N3O2 — CID 77008695

IUPAC2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)N(C)CC1CC1C)C(N)=NO
InChIInChI=1S/C15H29N3O2/c1-5-7-15(8-6-2,13(16)17-20)14(19)18(4)10-12-9-11(12)3/h11-12,20H,5-10H2,1-4H3,(H2,16,17)
InChIKeyKUMWLPUVTBPNRV-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.43
Rot. Bonds8

About 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide

2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide (PubChem CID 77008695) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide
PubChem CID77008695
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide
SMILESCCCC(CCC)(C(=O)N(C)CC1CC1C)C(N)=NO
InChIInChI=1S/C15H29N3O2/c1-5-7-15(8-6-2,13(16)17-20)14(19)18(4)10-12-9-11(12)3/h11-12,20H,5-10H2,1-4H3,(H2,16,17)
InChIKeyKUMWLPUVTBPNRV-UHFFFAOYSA-N
XLogP2.43
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.43
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 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide (CID 77008695) is 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide is CCCC(CCC)(C(=O)N(C)CC1CC1C)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide?
The InChIKey is KUMWLPUVTBPNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-5-7-15(8-6-2,13(16)17-20)14(19)18(4)10-12-9-11(12)3/h11-12,20H,5-10H2,1-4H3,(H2,16,17).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide?
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide has a molecular weight of 283.42 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide is sourced from PubChem (CID 77008695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).