2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide

C12H25N3O3 — CID 112703692

IUPAC2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCC(=O)NCCOC
InChIInChI=1S/C12H25N3O3/c1-4-12(5-2,9-13)11(17)15-8-10(16)14-6-7-18-3/h4-9,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWTYIAFALXOMHIN-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.37
Rot. Bonds9

About 2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide

2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide (PubChem CID 112703692) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
PubChem CID112703692
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
SMILESCCC(CC)(CN)C(=O)NCC(=O)NCCOC
InChIInChI=1S/C12H25N3O3/c1-4-12(5-2,9-13)11(17)15-8-10(16)14-6-7-18-3/h4-9,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyWTYIAFALXOMHIN-UHFFFAOYSA-N
XLogP-0.37
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]propanamide
CID 115733671
2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid
CID 43529310
2-(aminomethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114290208
2,2,2-trifluoroethyl N-[2-(2-methoxyethylamino)-2-oxoethyl]carbamate
CID 112683708
2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759851
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 103794285
2-(aminomethyl)-2-ethyl-N-[2-(2-methylpropoxy)ethyl]butanamide
CID 115760321
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
ethane;N-(2-methoxyethyl)propanamide;molecular hydrogen
CID 145484894
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(aminomethyl)-2-ethylbutanoate
CID 104563189
N-(2-methoxyethyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]acetamide
CID 113219586
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 115738068

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide (CID 112703692) is 2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide is CCC(CC)(CN)C(=O)NCC(=O)NCCOC.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide?
The InChIKey is WTYIAFALXOMHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-4-12(5-2,9-13)11(17)15-8-10(16)14-6-7-18-3/h4-9,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide?
2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide has a molecular weight of 259.35 g/mol, XLogP of -0.37, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 112703692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).