3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide

C13H26N2O2 — CID 103338776

IUPAC3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide
SMILESC=CCN(CCOC)C(=O)CC(N)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-6-7-15(8-9-17-5)12(16)10-11(14)13(2,3)4/h6,11H,1,7-10,14H2,2-5H3
InChIKeyHFKLGDLSHQJTEU-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.41
Rot. Bonds7

About 3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide

3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide (PubChem CID 103338776) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide
PubChem CID103338776
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide
SMILESC=CCN(CCOC)C(=O)CC(N)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-6-7-15(8-9-17-5)12(16)10-11(14)13(2,3)4/h6,11H,1,7-10,14H2,2-5H3
InChIKeyHFKLGDLSHQJTEU-UHFFFAOYSA-N
XLogP1.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-methoxyethyl)-3-methyl-N-prop-2-enylbutanamide
CID 103338897
ethyl 2-[2-methoxyethyl(prop-2-enyl)carbamoyl]-3,3-dimethylbutanoate
CID 103339953
2-amino-N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 103338789
5-[2-methoxyethyl(prop-2-enyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 103338494
N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
CID 103338945
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580
5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
CID 107910751
(2R)-2-amino-N-(2-methoxyethyl)-4-methyl-N-prop-2-enylpentanamide
CID 103338814
2,2-difluoro-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103516152
2-(ethylamino)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338694
2-amino-3-methoxy-N,N-bis(prop-2-enyl)propanamide
CID 81081149
2-[1-(aminomethyl)cyclohexyl]-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338720

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide?
The IUPAC name of 3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide (CID 103338776) is 3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide.
What is the SMILES notation for 3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide?
The canonical SMILES for 3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide is C=CCN(CCOC)C(=O)CC(N)C(C)(C)C.
What is the InChIKey of 3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide?
The InChIKey is HFKLGDLSHQJTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-7-15(8-9-17-5)12(16)10-11(14)13(2,3)4/h6,11H,1,7-10,14H2,2-5H3.
What are the key properties of 3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide?
3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methoxyethyl)-4,4-dimethyl-N-prop-2-enylpentanamide is sourced from PubChem (CID 103338776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).