2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide

C11H23N3O3 — CID 113219210

IUPAC2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O3/c1-11(2,3)13-10(16)14(4)8-9(15)12-6-7-17-5/h6-8H2,1-5H3,(H,12,15)(H,13,16)
InChIKeyJMNDXXNIVPFOAV-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.19
Rot. Bonds5

About 2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide

2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 113219210) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID113219210
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O3/c1-11(2,3)13-10(16)14(4)8-9(15)12-6-7-17-5/h6-8H2,1-5H3,(H,12,15)(H,13,16)
InChIKeyJMNDXXNIVPFOAV-UHFFFAOYSA-N
XLogP0.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]amino]butanoic acid
CID 79815042
2-[ethylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 47128037
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 78954285
2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane
CID 177054890
3-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoic acid
CID 79619625
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 61164170
2-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbutanamide
CID 62474499
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
2-[(4-amino-3,3-dimethylbutyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 65247102
3,5-diamino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61109542
cis-(1S,2R)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378992
(2R)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylpentanamide
CID 93373594

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide (CID 113219210) is 2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is JMNDXXNIVPFOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-11(2,3)13-10(16)14(4)8-9(15)12-6-7-17-5/h6-8H2,1-5H3,(H,12,15)(H,13,16).
What are the key properties of 2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide?
2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 245.32 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butylcarbamoyl(methyl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 113219210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).