N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide

C22H34N2O2 — CID 174240235

IUPACN-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1oc2ccccc2c1C.CCN(C(C)C)C(C)C
InChIInChI=1S/C14H15NO2.C8H19N/c1-4-14(16)15(3)9-13-10(2)11-7-5-6-8-12(11)17-13;1-6-9(7(2)3)8(4)5/h4-8H,1,9H2,2-3H3;7-8H,6H2,1-5H3
InChIKeyJUYDIICYDARHNM-UHFFFAOYSA-N
MW358.53 g/mol
LogP5.01
Rot. Bonds6

About N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide

N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide (PubChem CID 174240235) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
PubChem CID174240235
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
SMILESC=CC(=O)N(C)Cc1oc2ccccc2c1C.CCN(C(C)C)C(C)C
InChIInChI=1S/C14H15NO2.C8H19N/c1-4-14(16)15(3)9-13-10(2)11-7-5-6-8-12(11)17-13;1-6-9(7(2)3)8(4)5/h4-8H,1,9H2,2-3H3;7-8H,6H2,1-5H3
InChIKeyJUYDIICYDARHNM-UHFFFAOYSA-N
XLogP5.01
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CL82198
CID 2777
Befuraline
CID 68664
2-Benzofurancarboxamide, N-methyl-
CID 660372
Befuraline hydrochloride
CID 73346
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
L 657743
CID 189711
3-((2-Benzofuranylmethyl)amino)-5-ethyl-6-methylpyridin-2(1H)-one
CID 453439
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
1-(1-Benzofuran-2-ylmethyl)-4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazine
CID 44189150
N-((Benzofuran-2-yl)methyl)-N''-(4''-methoxybenzyl)piperazine
CID 46914487
Benzofuran-2-yl(pyrrolidin-1-yl)methanone
CID 977385

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide?
The IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide (CID 174240235) is N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide?
The canonical SMILES for N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide is C=CC(=O)N(C)Cc1oc2ccccc2c1C.CCN(C(C)C)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide?
The InChIKey is JUYDIICYDARHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2.C8H19N/c1-4-14(16)15(3)9-13-10(2)11-7-5-6-8-12(11)17-13;1-6-9(7(2)3)8(4)5/h4-8H,1,9H2,2-3H3;7-8H,6H2,1-5H3.
What are the key properties of N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide?
N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide has a molecular weight of 358.53 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylpropan-2-amine;N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 174240235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).