2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide

C12H24N4O3 — CID 114293087

IUPAC2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
SMILESCCC(C)(C(=O)NCC1CN(C)CCO1)C(N)=NO
InChIInChI=1S/C12H24N4O3/c1-4-12(2,10(13)15-18)11(17)14-7-9-8-16(3)5-6-19-9/h9,18H,4-8H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyKBQMSGIQOZUCIL-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.40
Rot. Bonds5

About 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide

2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide (PubChem CID 114293087) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
PubChem CID114293087
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
SMILESCCC(C)(C(=O)NCC1CN(C)CCO1)C(N)=NO
InChIInChI=1S/C12H24N4O3/c1-4-12(2,10(13)15-18)11(17)14-7-9-8-16(3)5-6-19-9/h9,18H,4-8H2,1-3H3,(H2,13,15)(H,14,17)
InChIKeyKBQMSGIQOZUCIL-UHFFFAOYSA-N
XLogP-0.40
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.40
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-amino-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79811490
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(oxan-3-ylmethyl)butanamide
CID 113270817
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
ethyl 2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]acetate
CID 78942696
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 76920813
2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79082924
1-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclopentane-1-carboxamide
CID 79082482

Frequently Asked Questions

What is the IUPAC name of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
The IUPAC name of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide (CID 114293087) is 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide.
What is the SMILES notation for 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
The canonical SMILES for 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide is CCC(C)(C(=O)NCC1CN(C)CCO1)C(N)=NO.
What is the InChIKey of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
The InChIKey is KBQMSGIQOZUCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-4-12(2,10(13)15-18)11(17)14-7-9-8-16(3)5-6-19-9/h9,18H,4-8H2,1-3H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide has a molecular weight of 272.35 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N'-hydroxycarbamimidoyl)-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide is sourced from PubChem (CID 114293087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).