N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide

C22H26N2O4 — CID 55621096

IUPACN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)COc1ccccc1)C(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C22H26N2O4/c1-15(2)21(24-20(25)14-27-17-9-4-3-5-10-17)22(26)23-13-18-12-16-8-6-7-11-19(16)28-18/h3-11,15,18,21H,12-14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyLKNGYZNZLAPBSQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.33
Rot. Bonds8

About N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide (PubChem CID 55621096) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
PubChem CID55621096
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide
SMILESCC(C)C(NC(=O)COc1ccccc1)C(=O)NCC1Cc2ccccc2O1
InChIInChI=1S/C22H26N2O4/c1-15(2)21(24-20(25)14-27-17-9-4-3-5-10-17)22(26)23-13-18-12-16-8-6-7-11-19(16)28-18/h3-11,15,18,21H,12-14H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyLKNGYZNZLAPBSQ-UHFFFAOYSA-N
XLogP2.33
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylbutanamide
CID 79012981
N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide
CID 92757032
2-phenoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 92761558
3-[2-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methylamino]-2-oxoethoxy]benzamide
CID 94648224
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
(2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 30664714
3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-[(2-phenoxyacetyl)amino]butanamide
CID 134016392
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-hydroxypentanamide
CID 79192348
3-methyl-2-[(2-phenoxyacetyl)amino]-N-pyridin-4-ylbutanamide
CID 51193908
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 9142893
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-phenoxyacetamide
CID 91626502
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750973

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide (CID 55621096) is N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide is CC(C)C(NC(=O)COc1ccccc1)C(=O)NCC1Cc2ccccc2O1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
The InChIKey is LKNGYZNZLAPBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-15(2)21(24-20(25)14-27-17-9-4-3-5-10-17)22(26)23-13-18-12-16-8-6-7-11-19(16)28-18/h3-11,15,18,21H,12-14H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide?
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide has a molecular weight of 382.46 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methyl-2-[(2-phenoxyacetyl)amino]butanamide is sourced from PubChem (CID 55621096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).