N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide

C14H25N3O2 — CID 80594457

IUPACN-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
SMILESCCC(CC1CC1)NC(=O)C1(C(N)=NO)CC(C)C1
InChIInChI=1S/C14H25N3O2/c1-3-11(6-10-4-5-10)16-13(18)14(12(15)17-19)7-9(2)8-14/h9-11,19H,3-8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyIJZVETJSNKVVCC-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.84
Rot. Bonds6

About N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide

N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80594457) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
PubChem CID80594457
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
SMILESCCC(CC1CC1)NC(=O)C1(C(N)=NO)CC(C)C1
InChIInChI=1S/C14H25N3O2/c1-3-11(6-10-4-5-10)16-13(18)14(12(15)17-19)7-9(2)8-14/h9-11,19H,3-8H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyIJZVETJSNKVVCC-UHFFFAOYSA-N
XLogP1.84
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.84
H-Bond Donors ≤ 53
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-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide (CID 80594457) is N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide is CCC(CC1CC1)NC(=O)C1(C(N)=NO)CC(C)C1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is IJZVETJSNKVVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-11(6-10-4-5-10)16-13(18)14(12(15)17-19)7-9(2)8-14/h9-11,19H,3-8H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide?
N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80594457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).