3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide

C12H25N3O3 — CID 62838866

IUPAC3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
SMILESCCNC(C)CC(=O)N(C)CC(=O)NCCOC
InChIInChI=1S/C12H25N3O3/c1-5-13-10(2)8-12(17)15(3)9-11(16)14-6-7-18-4/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyHAQRHMLMNZGIPW-UHFFFAOYSA-N
MW259.35 g/mol
LogP-0.40
Rot. Bonds9

About 3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide

3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide (PubChem CID 62838866) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
PubChem CID62838866
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Name3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
SMILESCCNC(C)CC(=O)N(C)CC(=O)NCCOC
InChIInChI=1S/C12H25N3O3/c1-5-13-10(2)8-12(17)15(3)9-11(16)14-6-7-18-4/h10,13H,5-9H2,1-4H3,(H,14,16)
InChIKeyHAQRHMLMNZGIPW-UHFFFAOYSA-N
XLogP-0.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[3-(ethylamino)butanoyl-methylamino]acetate
CID 62839405
3-(ethylamino)-N-(3-methoxypropyl)-N-methylbutanamide
CID 63008042
2-[ethylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47128037
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 115877350
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 61164170
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-4-(propan-2-ylamino)butanamide
CID 60952989
N-(2-methoxyethyl)-2-[methyl(3-oxopentan-2-yl)amino]acetamide
CID 64866282
(2R)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpentanamide
CID 93373594
N-(2-methoxyethyl)-2-[methyl(3-oxobutan-2-yl)amino]acetamide
CID 60680902
2-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
CID 62474499
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407019
3-[ethyl-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853753

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide?
The IUPAC name of 3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide (CID 62838866) is 3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide?
The canonical SMILES for 3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide is CCNC(C)CC(=O)N(C)CC(=O)NCCOC.
What is the InChIKey of 3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide?
The InChIKey is HAQRHMLMNZGIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-5-13-10(2)8-12(17)15(3)9-11(16)14-6-7-18-4/h10,13H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide?
3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide has a molecular weight of 259.35 g/mol, XLogP of -0.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide is sourced from PubChem (CID 62838866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).