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

C15H25N3O3 — CID 110280274

IUPACN-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)CNC(=O)C(C)C
InChIInChI=1S/C15H25N3O3/c1-6-8-18(9-7-2)15(21)12(5)17-13(19)10-16-14(20)11(3)4/h6-7,11-12H,1-2,8-10H2,3-5H3,(H,16,20)(H,17,19)
InChIKeyBGVZCLDAECIBPQ-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.46
Rot. Bonds9

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

N-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide (PubChem CID 110280274) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
PubChem CID110280274
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)CNC(=O)C(C)C
InChIInChI=1S/C15H25N3O3/c1-6-8-18(9-7-2)15(21)12(5)17-13(19)10-16-14(20)11(3)4/h6-7,11-12H,1-2,8-10H2,3-5H3,(H,16,20)(H,17,19)
InChIKeyBGVZCLDAECIBPQ-UHFFFAOYSA-N
XLogP0.46
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]butanamide
CID 110280366
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide
CID 113052235
2-[[2-(4-bromo-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N,N-bis(prop-2-enyl)propanamide
CID 110280092
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 110280309
2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
CID 113158494
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 110280182
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-2-chloro-6-fluorobenzamide
CID 110280328
N-but-3-enyl-2-methylpropanamide
CID 3434507
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide
CID 84571207
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 110280231
methyl (2S)-2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]propanoate
CID 164673637

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide (CID 110280274) is N-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide is C=CCN(CC=C)C(=O)C(C)NC(=O)CNC(=O)C(C)C.
What is the InChIKey of N-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is BGVZCLDAECIBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-6-8-18(9-7-2)15(21)12(5)17-13(19)10-16-14(20)11(3)4/h6-7,11-12H,1-2,8-10H2,3-5H3,(H,16,20)(H,17,19).
What are the key properties of N-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide?
N-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 295.38 g/mol, XLogP of 0.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 110280274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).