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

C10H21N3O3 — CID 114292695

IUPACN-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide
SMILESCCN(CCO)C(=O)C(C)(CC)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-4-10(3,8(11)12-16)9(15)13(5-2)6-7-14/h14,16H,4-7H2,1-3H3,(H2,11,12)
InChIKeyGYKVYKSQVDEDBG-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.01
Rot. Bonds6

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

N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide (PubChem CID 114292695) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide
PubChem CID114292695
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC NameN-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide
SMILESCCN(CCO)C(=O)C(C)(CC)C(N)=NO
InChIInChI=1S/C10H21N3O3/c1-4-10(3,8(11)12-16)9(15)13(5-2)6-7-14/h14,16H,4-7H2,1-3H3,(H2,11,12)
InChIKeyGYKVYKSQVDEDBG-UHFFFAOYSA-N
XLogP-0.01
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide?
The IUPAC name of N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide (CID 114292695) is N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide.
What is the SMILES notation for N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide?
The canonical SMILES for N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide is CCN(CCO)C(=O)C(C)(CC)C(N)=NO.
What is the InChIKey of N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide?
The InChIKey is GYKVYKSQVDEDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-4-10(3,8(11)12-16)9(15)13(5-2)6-7-14/h14,16H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide?
N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide has a molecular weight of 231.30 g/mol, XLogP of -0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-2-methylbutanamide is sourced from PubChem (CID 114292695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).