2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide

C11H22N2O — CID 115923473

IUPAC2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(CC)C(C)C
InChIInChI=1S/C11H22N2O/c1-5-7-12-11(14)8-13-10(6-2)9(3)4/h5,9-10,13H,1,6-8H2,2-4H3,(H,12,14)
InChIKeyNJTYNAJHGIGTSB-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.31
Rot. Bonds7

About 2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide

2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide (PubChem CID 115923473) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide
PubChem CID115923473
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CNC(CC)C(C)C
InChIInChI=1S/C11H22N2O/c1-5-7-12-11(14)8-13-10(6-2)9(3)4/h5,9-10,13H,1,6-8H2,2-4H3,(H,12,14)
InChIKeyNJTYNAJHGIGTSB-UHFFFAOYSA-N
XLogP1.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]propanoic acid
CID 83194745
2-methyl-N-prop-2-enylpentan-3-amine
CID 43755389
N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 61487192
2-(hexan-2-ylamino)-N-prop-2-enylacetamide
CID 115923519
N-(cyclopropylmethyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 61469190
2-[1-(1-methylcyclopropyl)ethylamino]-N-prop-2-enylacetamide
CID 115923531
2-(1-cyclohexylethylamino)-N-prop-2-enylacetamide
CID 115903241
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
2-(methylamino)-N-prop-2-enylacetamide;hydrochloride
CID 53410796
N-prop-2-enyl-2-(propylamino)acetamide
CID 54819030
2-[1-(oxan-4-yl)ethylamino]-N-prop-2-enylacetamide
CID 75483160

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide (CID 115923473) is 2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide is C=CCNC(=O)CNC(CC)C(C)C.
What is the InChIKey of 2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide?
The InChIKey is NJTYNAJHGIGTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-7-12-11(14)8-13-10(6-2)9(3)4/h5,9-10,13H,1,6-8H2,2-4H3,(H,12,14).
What are the key properties of 2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide?
2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide has a molecular weight of 198.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-3-ylamino)-N-prop-2-enylacetamide is sourced from PubChem (CID 115923473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).