N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide

C11H21N3O2 — CID 76925783

IUPACN-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
SMILESCCN(C(=O)C(C(N)=NO)C(C)C)C1CC1
InChIInChI=1S/C11H21N3O2/c1-4-14(8-5-6-8)11(15)9(7(2)3)10(12)13-16/h7-9,16H,4-6H2,1-3H3,(H2,12,13)
InChIKeyOGTSLPQJZUDDEA-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.02
Rot. Bonds5

About N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide

N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide (PubChem CID 76925783) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
PubChem CID76925783
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
SMILESCCN(C(=O)C(C(N)=NO)C(C)C)C1CC1
InChIInChI=1S/C11H21N3O2/c1-4-14(8-5-6-8)11(15)9(7(2)3)10(12)13-16/h7-9,16H,4-6H2,1-3H3,(H2,12,13)
InChIKeyOGTSLPQJZUDDEA-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
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'}

Analyze N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 76923943
N-cyclopropyl-N-(cyclopropylmethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77046120
N-butan-2-yl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 76926234
2-amino-N-cyclopropyl-N-ethylpropanamide
CID 43264257
2-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylbutanamide
CID 104553323
N-(4-aminocyclohexyl)-N-ethyl-2,3-dimethylbutanamide
CID 79115669
N-(1,1-dioxothiolan-3-yl)-2-(N'-hydroxycarbamimidoyl)-N,3-dimethylbutanamide
CID 76925217
2-(N'-hydroxycarbamimidoyl)-N-(1-methoxypropan-2-yl)-N,3-dimethylbutanamide
CID 76926122
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 79491505
N,N-bis(2-ethoxyethyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 82938492
N-(4-aminocyclohexyl)-N-ethyl-2-methylpentanamide
CID 79115926
N-cyclopropyl-2-(N'-hydroxycarbamimidoyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 76923868

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide (CID 76925783) is N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide is CCN(C(=O)C(C(N)=NO)C(C)C)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
The InChIKey is OGTSLPQJZUDDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-14(8-5-6-8)11(15)9(7(2)3)10(12)13-16/h7-9,16H,4-6H2,1-3H3,(H2,12,13).
What are the key properties of N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide?
N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide has a molecular weight of 227.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide is sourced from PubChem (CID 76925783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).