N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide

C20H24N2O3 — CID 110280216

IUPACN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)c1oc2ccc(C)cc2c1C
InChIInChI=1S/C20H24N2O3/c1-6-10-22(11-7-2)20(24)15(5)21-19(23)18-14(4)16-12-13(3)8-9-17(16)25-18/h6-9,12,15H,1-2,10-11H2,3-5H3,(H,21,23)
InChIKeyZZSKFDKLEATNPO-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.37
Rot. Bonds7

About N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide

N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 110280216) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
PubChem CID110280216
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide
SMILESC=CCN(CC=C)C(=O)C(C)NC(=O)c1oc2ccc(C)cc2c1C
InChIInChI=1S/C20H24N2O3/c1-6-10-22(11-7-2)20(24)15(5)21-19(23)18-14(4)16-12-13(3)8-9-17(16)25-18/h6-9,12,15H,1-2,10-11H2,3-5H3,(H,21,23)
InChIKeyZZSKFDKLEATNPO-UHFFFAOYSA-N
XLogP3.37
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.37
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

N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5,6-trimethyl-1-benzofuran-2-carboxamide
CID 110280231
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 110280223
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 110280110
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 110280309
3,5-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]-1-benzofuran-2-carboxamide
CID 42522128
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylpentanoic acid
CID 119212059
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
3,5-dimethyl-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]-1-benzofuran-2-carboxamide
CID 42515942
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
(3,5-dimethyl-1-benzofuran-2-yl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95749888
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate
CID 55305723

Frequently Asked Questions

What is the IUPAC name of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide (CID 110280216) is N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide is C=CCN(CC=C)C(=O)C(C)NC(=O)c1oc2ccc(C)cc2c1C.
What is the InChIKey of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is ZZSKFDKLEATNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-6-10-22(11-7-2)20(24)15(5)21-19(23)18-14(4)16-12-13(3)8-9-17(16)25-18/h6-9,12,15H,1-2,10-11H2,3-5H3,(H,21,23).
What are the key properties of N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide?
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-3,5-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110280216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).