N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide

C15H29N3O2 — CID 76924910

IUPACN-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide
SMILESCCCN(C(=O)C(CCC)(CCC)C(N)=NO)C1CC1
InChIInChI=1S/C15H29N3O2/c1-4-9-15(10-5-2,13(16)17-20)14(19)18(11-6-3)12-7-8-12/h12,20H,4-11H2,1-3H3,(H2,16,17)
InChIKeyGVVHITQDOMCOQT-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.72
Rot. Bonds9

About N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide

N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide (PubChem CID 76924910) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide
PubChem CID76924910
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide
SMILESCCCN(C(=O)C(CCC)(CCC)C(N)=NO)C1CC1
InChIInChI=1S/C15H29N3O2/c1-4-9-15(10-5-2,13(16)17-20)14(19)18(11-6-3)12-7-8-12/h12,20H,4-11H2,1-3H3,(H2,16,17)
InChIKeyGVVHITQDOMCOQT-UHFFFAOYSA-N
XLogP2.72
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.72
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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Related Compounds

N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)butanamide
CID 76921421
N-cyclohexyl-2-(N'-hydroxycarbamimidoyl)-N-methyl-2-propylpentanamide
CID 76925166
N-cyclobutyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(3-hydroxypropyl)butanamide
CID 102865941
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propylpentanamide
CID 77008695
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylcyclopentyl)methyl]-2-propylpentanamide
CID 107420169
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
CID 79112531
2-(N'-hydroxycarbamimidoyl)-N-(4-hydroxycyclohexyl)-2-propylpentanamide
CID 76924998
N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide
CID 76924945
N-(2-cyclobutylethyl)-2-(N'-hydroxycarbamimidoyl)-2-propylpentanamide
CID 104864532
2-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-propylpentanimidamide
CID 76924786
2-(2,6-dimethylmorpholine-4-carbonyl)-N'-hydroxy-2-propylpentanimidamide
CID 76925281
N-(4-aminocyclohexyl)-2-methoxy-2-methyl-N-propylpropanamide
CID 103021566

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide?
The IUPAC name of N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide (CID 76924910) is N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide.
What is the SMILES notation for N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide?
The canonical SMILES for N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide is CCCN(C(=O)C(CCC)(CCC)C(N)=NO)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide?
The InChIKey is GVVHITQDOMCOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-9-15(10-5-2,13(16)17-20)14(19)18(11-6-3)12-7-8-12/h12,20H,4-11H2,1-3H3,(H2,16,17).
What are the key properties of N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide?
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide has a molecular weight of 283.42 g/mol, XLogP of 2.72, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N,2-dipropylpentanamide is sourced from PubChem (CID 76924910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).