2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide

C11H22N4O3 — CID 76926499

IUPAC2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCC(C(=O)NCCN1CCOCC1)C(N)=NO
InChIInChI=1S/C11H22N4O3/c1-2-9(10(12)14-17)11(16)13-3-4-15-5-7-18-8-6-15/h9,17H,2-8H2,1H3,(H2,12,14)(H,13,16)
InChIKeySLGQXWSMNHHINT-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.79
Rot. Bonds6

About 2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide

2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 76926499) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID76926499
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Name2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCC(C(=O)NCCN1CCOCC1)C(N)=NO
InChIInChI=1S/C11H22N4O3/c1-2-9(10(12)14-17)11(16)13-3-4-15-5-7-18-8-6-15/h9,17H,2-8H2,1H3,(H2,12,14)(H,13,16)
InChIKeySLGQXWSMNHHINT-UHFFFAOYSA-N
XLogP-0.79
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Related Compounds

2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide
CID 76925048
2-(N'-hydroxycarbamimidoyl)-N-(2-piperidin-1-ylethyl)pentanamide
CID 76925702
2-amino-3-ethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 67174978
N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide
CID 77028984
2-amino-N-(2-morpholin-4-ylethyl)propanamide;dihydrochloride
CID 119827782
bis((2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide);oxalic acid
CID 134229716
(2R)-2-amino-3,3-dimethyl-N-(2-morpholin-4-ylethyl)butanamide
CID 83300699
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 107164956
(2S,3S)-2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 67172232
4-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
CID 76920259
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
2-(aminomethyl)-4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 107471024

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide (CID 76926499) is 2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide is CCC(C(=O)NCCN1CCOCC1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is SLGQXWSMNHHINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-2-9(10(12)14-17)11(16)13-3-4-15-5-7-18-8-6-15/h9,17H,2-8H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide?
2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 258.32 g/mol, XLogP of -0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 76926499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).