N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide

C11H22N2O3 — CID 108538534

IUPACN-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide
SMILESCOCCC(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C11H22N2O3/c1-9(2)8-11(15)13-6-5-12-10(14)4-7-16-3/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyXPPMEOZYKJJNGV-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.30
Rot. Bonds8

About N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide

N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide (PubChem CID 108538534) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide
PubChem CID108538534
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide
SMILESCOCCC(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C11H22N2O3/c1-9(2)8-11(15)13-6-5-12-10(14)4-7-16-3/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyXPPMEOZYKJJNGV-UHFFFAOYSA-N
XLogP0.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.30
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-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide
CID 108538544
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
N-[2-(ethylamino)ethyl]-3-methoxypropanamide
CID 62658774
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
3-methoxy-N-[2-[2-[2-(3-methoxypropanoylamino)ethoxy]ethoxy]ethyl]propanamide
CID 166969109
4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
CID 135196463
N-[2-(3-methoxypropanoylamino)ethyl]-3,3-dimethylbutanamide
CID 108574166
methane;3-methoxy-N-(3-oxopropyl)propanamide
CID 160698197
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
N-(2-methoxyethyl)-3-(3-methylbutoxy)propanamide
CID 166039715
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide
CID 90261922

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide (CID 108538534) is N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide is COCCC(=O)NCCNC(=O)CC(C)C.
What is the InChIKey of N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide?
The InChIKey is XPPMEOZYKJJNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(2)8-11(15)13-6-5-12-10(14)4-7-16-3/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide?
N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide has a molecular weight of 230.31 g/mol, XLogP of 0.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 108538534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).