N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide

C19H23N3O2 — CID 86789657

IUPACN-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
SMILESCc1c(C(C)NCC(=O)NC(C)(C#N)C2CC2)oc2ccccc12
InChIInChI=1S/C19H23N3O2/c1-12-15-6-4-5-7-16(15)24-18(12)13(2)21-10-17(23)22-19(3,11-20)14-8-9-14/h4-7,13-14,21H,8-10H2,1-3H3,(H,22,23)
InChIKeyFWHPMGGRBVQGLZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.20
Rot. Bonds6

About N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide

N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide (PubChem CID 86789657) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
PubChem CID86789657
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
SMILESCc1c(C(C)NCC(=O)NC(C)(C#N)C2CC2)oc2ccccc12
InChIInChI=1S/C19H23N3O2/c1-12-15-6-4-5-7-16(15)24-18(12)13(2)21-10-17(23)22-19(3,11-20)14-8-9-14/h4-7,13-14,21H,8-10H2,1-3H3,(H,22,23)
InChIKeyFWHPMGGRBVQGLZ-UHFFFAOYSA-N
XLogP3.20
TPSA78.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide with MolForge

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Related Compounds

N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43777777
2-(benzhydrylamino)-N-[(1R)-1-cyano-1-cyclopropylethyl]acetamide
CID 7531377
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 104578826
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[[(1R)-2,2-dimethyl-1-phenylpropyl]amino]acetamide
CID 94498516
N-(2-methoxyethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 115707962
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate
CID 7904011
2-(2-chloroanilino)-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide
CID 37471767
N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide
CID 119048266
N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide
CID 99833499
(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 124571843
2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43755050

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide?
The IUPAC name of N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide (CID 86789657) is N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide.
What is the SMILES notation for N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide?
The canonical SMILES for N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide is Cc1c(C(C)NCC(=O)NC(C)(C#N)C2CC2)oc2ccccc12.
What is the InChIKey of N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide?
The InChIKey is FWHPMGGRBVQGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-15-6-4-5-7-16(15)24-18(12)13(2)21-10-17(23)22-19(3,11-20)14-8-9-14/h4-7,13-14,21H,8-10H2,1-3H3,(H,22,23).
What are the key properties of N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide?
N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide has a molecular weight of 325.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclopropylethyl)-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide is sourced from PubChem (CID 86789657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).