N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide

C13H22N2O2 — CID 110280366

IUPACN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)CCC
InChIInChI=1S/C13H22N2O2/c1-5-8-12(16)14-11(4)13(17)15(9-6-2)10-7-3/h6-7,11H,2-3,5,8-10H2,1,4H3,(H,14,16)
InChIKeyARDSZFXSHMHCHJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.49
Rot. Bonds8

About N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide

N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide (PubChem CID 110280366) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound NameN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide
PubChem CID110280366
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)CCC
InChIInChI=1S/C13H22N2O2/c1-5-8-12(16)14-11(4)13(17)15(9-6-2)10-7-3/h6-7,11H,2-3,5,8-10H2,1,4H3,(H,14,16)
InChIKeyARDSZFXSHMHCHJ-UHFFFAOYSA-N
XLogP1.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 110280274
2-(3-chloropropanoylamino)-N,N-diethylpropanamide
CID 43696191
2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide
CID 110280092
N-[(2R)-1-amino-1-oxopropan-2-yl]butanamide
CID 54110104
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 110280309
3-(ethylamino)-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 62853954
2-[4-[bis(prop-2-enyl)amino]butanoylamino]propanoic acid
CID 82042130
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 110280182
N-(2-hydroxyethyl)-N-prop-2-enyl-2-(propylsulfonylamino)propanamide
CID 115775972
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 110280231
ethane;N-propan-2-ylbutanamide
CID 169175258
[5-[[1-(dihexadecylamino)-1-oxopropan-2-yl]amino]-5-oxopentyl]-trimethylazanium
CID 139256231

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide?
The IUPAC name of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide (CID 110280366) is N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide?
The canonical SMILES for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide is C=CCN(CC=C)C(=O)C(C)NC(=O)CCC.
What is the InChIKey of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide?
The InChIKey is ARDSZFXSHMHCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-8-12(16)14-11(4)13(17)15(9-6-2)10-7-3/h6-7,11H,2-3,5,8-10H2,1,4H3,(H,14,16).
What are the key properties of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide?
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide has a molecular weight of 238.33 g/mol, XLogP of 1.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 110280366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).