N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide

C11H21N3O2 — CID 76919358

IUPACN-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
SMILESCCC(CC)(C(=O)N(C)C1CC1)C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-4-11(5-2,9(12)13-16)10(15)14(3)8-6-7-8/h8,16H,4-7H2,1-3H3,(H2,12,13)
InChIKeyRRCZJKBBUWHKRU-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.16
Rot. Bonds5

About N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide

N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide (PubChem CID 76919358) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
PubChem CID76919358
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide
SMILESCCC(CC)(C(=O)N(C)C1CC1)C(N)=NO
InChIInChI=1S/C11H21N3O2/c1-4-11(5-2,9(12)13-16)10(15)14(3)8-6-7-8/h8,16H,4-7H2,1-3H3,(H2,12,13)
InChIKeyRRCZJKBBUWHKRU-UHFFFAOYSA-N
XLogP1.16
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.16
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-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide?
The IUPAC name of N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide (CID 76919358) is N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide.
What is the SMILES notation for N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide?
The canonical SMILES for N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide is CCC(CC)(C(=O)N(C)C1CC1)C(N)=NO.
What is the InChIKey of N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide?
The InChIKey is RRCZJKBBUWHKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-11(5-2,9(12)13-16)10(15)14(3)8-6-7-8/h8,16H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide?
N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide has a molecular weight of 227.31 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-methylbutanamide is sourced from PubChem (CID 76919358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).