1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide

C15H29N3O2 — CID 80597541

IUPAC1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide
SMILESCCCCCCC(C)NC(=O)C1(C(N)=NO)CC(C)C1
InChIInChI=1S/C15H29N3O2/c1-4-5-6-7-8-12(3)17-14(19)15(13(16)18-20)9-11(2)10-15/h11-12,20H,4-10H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyCIUCPBGCCITOGO-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.62
Rot. Bonds8

About 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide (PubChem CID 80597541) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide
PubChem CID80597541
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide
SMILESCCCCCCC(C)NC(=O)C1(C(N)=NO)CC(C)C1
InChIInChI=1S/C15H29N3O2/c1-4-5-6-7-8-12(3)17-14(19)15(13(16)18-20)9-11(2)10-15/h11-12,20H,4-10H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyCIUCPBGCCITOGO-UHFFFAOYSA-N
XLogP2.62
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide (CID 80597541) is 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide is CCCCCCC(C)NC(=O)C1(C(N)=NO)CC(C)C1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide?
The InChIKey is CIUCPBGCCITOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-5-6-7-8-12(3)17-14(19)15(13(16)18-20)9-11(2)10-15/h11-12,20H,4-10H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-3-methyl-N-octan-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 80597541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).