N-heptan-2-yl-2-(prop-2-enylamino)acetamide

C12H24N2O — CID 78914226

IUPACN-heptan-2-yl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)CCCCC
InChIInChI=1S/C12H24N2O/c1-4-6-7-8-11(3)14-12(15)10-13-9-5-2/h5,11,13H,2,4,6-10H2,1,3H3,(H,14,15)
InChIKeyGXBJDRSTEJNZLU-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.85
Rot. Bonds9

About N-heptan-2-yl-2-(prop-2-enylamino)acetamide

N-heptan-2-yl-2-(prop-2-enylamino)acetamide (PubChem CID 78914226) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-heptan-2-yl-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-(prop-2-enylamino)acetamide
PubChem CID78914226
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-heptan-2-yl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)CCCCC
InChIInChI=1S/C12H24N2O/c1-4-6-7-8-11(3)14-12(15)10-13-9-5-2/h5,11,13H,2,4,6-10H2,1,3H3,(H,14,15)
InChIKeyGXBJDRSTEJNZLU-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-octan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914237
N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide
CID 78914225
N-heptan-2-ylhept-6-enamide
CID 166754138
N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide
CID 79278726
N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
CID 97170590
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-dodecan-2-ylpropanamide
CID 174988669
N-butan-2-yl-2-(octylamino)acetamide
CID 78914360
2-(hexan-2-ylamino)-N-prop-2-enylacetamide
CID 115923519
N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79278946
N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79285561

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-heptan-2-yl-2-(prop-2-enylamino)acetamide (CID 78914226) is N-heptan-2-yl-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-heptan-2-yl-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-heptan-2-yl-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC(C)CCCCC.
What is the InChIKey of N-heptan-2-yl-2-(prop-2-enylamino)acetamide?
The InChIKey is GXBJDRSTEJNZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-6-7-8-11(3)14-12(15)10-13-9-5-2/h5,11,13H,2,4,6-10H2,1,3H3,(H,14,15).
What are the key properties of N-heptan-2-yl-2-(prop-2-enylamino)acetamide?
N-heptan-2-yl-2-(prop-2-enylamino)acetamide has a molecular weight of 212.34 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78914226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).