N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide

C20H27N3O2 — CID 78899492

IUPACN-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
SMILESCCc1oc2ccccc2c1CN(C)CC(=O)N(CC)CC(C)C#N
InChIInChI=1S/C20H27N3O2/c1-5-18-17(16-9-7-8-10-19(16)25-18)13-22(4)14-20(24)23(6-2)12-15(3)11-21/h7-10,15H,5-6,12-14H2,1-4H3
InChIKeyPNAFXOGUWWPAGX-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.44
Rot. Bonds8

About N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide

N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide (PubChem CID 78899492) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
PubChem CID78899492
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
SMILESCCc1oc2ccccc2c1CN(C)CC(=O)N(CC)CC(C)C#N
InChIInChI=1S/C20H27N3O2/c1-5-18-17(16-9-7-8-10-19(16)25-18)13-22(4)14-20(24)23(6-2)12-15(3)11-21/h7-10,15H,5-6,12-14H2,1-4H3
InChIKeyPNAFXOGUWWPAGX-UHFFFAOYSA-N
XLogP3.44
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide
CID 78826569
N-(2-cyanopropyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 51092598
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
2-[2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]ethoxy]ethanol
CID 111439493
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119694657
N-(2-cyanopropyl)-N-ethyl-2-(1H-indol-3-yl)acetamide
CID 47268305
2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide
CID 54979575
2-(benzenesulfonyl)-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methylethanamine
CID 78819087
(2S)-2-amino-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N,4-dimethylpentanamide
CID 119694692
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-N-methyl-3-phenylpropanamide
CID 55428710
2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]-1-(4-methylsulfonylphenyl)ethanol
CID 154774645
N-(2-cyanopropyl)-2-(3,4-difluoro-N-methylanilino)-N-ethylacetamide
CID 86831680

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide (CID 78899492) is N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide is CCc1oc2ccccc2c1CN(C)CC(=O)N(CC)CC(C)C#N.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide?
The InChIKey is PNAFXOGUWWPAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-5-18-17(16-9-7-8-10-19(16)25-18)13-22(4)14-20(24)23(6-2)12-15(3)11-21/h7-10,15H,5-6,12-14H2,1-4H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide?
N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide has a molecular weight of 341.46 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-[(2-ethyl-1-benzofuran-3-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 78899492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).