N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide

C10H20N2O3 — CID 108538544

IUPACN-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide
SMILESCOCC(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C10H20N2O3/c1-8(2)6-9(13)11-4-5-12-10(14)7-15-3/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyLICISEBHLFUBLY-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.09
Rot. Bonds7

About N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide

N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide (PubChem CID 108538544) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide
PubChem CID108538544
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC NameN-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide
SMILESCOCC(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C10H20N2O3/c1-8(2)6-9(13)11-4-5-12-10(14)7-15-3/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyLICISEBHLFUBLY-UHFFFAOYSA-N
XLogP-0.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.09
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

N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide
CID 108538534
ethane;N-[2-[(2-methoxyacetyl)amino]ethyl]propanamide
CID 156794805
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
methyl 3-[(2-methoxyacetyl)amino]propanoate
CID 60637209
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
N-(4-chloropentyl)-3-methylbutanamide
CID 106129611
N-[2-(methanesulfonamido)ethyl]-2-methoxyacetamide
CID 60729923
N-(3-aminopropyl)-3-methylbutanamide
CID 23588483
3-methyl-N-(4-methyl-3-oxopentyl)butanamide
CID 153392843
2-chloroethyl N-[2-(3-methylbutanoylamino)ethyl]carbamate
CID 108570931

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide (CID 108538544) is N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide is COCC(=O)NCCNC(=O)CC(C)C.
What is the InChIKey of N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide?
The InChIKey is LICISEBHLFUBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(2)6-9(13)11-4-5-12-10(14)7-15-3/h8H,4-7H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide?
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide has a molecular weight of 216.28 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide is sourced from PubChem (CID 108538544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).