2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide

C19H22N2O3 — CID 120988039

IUPAC2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H22N2O3/c1-23-12-17(20)19(22)21-11-13-2-4-14(5-3-13)15-6-7-18-16(10-15)8-9-24-18/h2-7,10,17H,8-9,11-12,20H2,1H3,(H,21,22)
InChIKeyYXSVVEOWYORQOL-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.88
Rot. Bonds6

About 2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide

2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide (PubChem CID 120988039) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide
PubChem CID120988039
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide
SMILESCOCC(N)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H22N2O3/c1-23-12-17(20)19(22)21-11-13-2-4-14(5-3-13)15-6-7-18-16(10-15)8-9-24-18/h2-7,10,17H,8-9,11-12,20H2,1H3,(H,21,22)
InChIKeyYXSVVEOWYORQOL-UHFFFAOYSA-N
XLogP1.88
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide
CID 120988314
3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide
CID 119758146
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide
CID 68649669
2-amino-3-methoxy-N-[(4-phenylphenyl)methyl]propanamide;hydrochloride
CID 68649668
(2S)-2-amino-3-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propanoic acid
CID 172529875
sodium 4-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4-oxobutanoate
CID 167799892
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxypropanamide
CID 81088298
1-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2,3-dimethylguanidine
CID 75493790
2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985752
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-3-methylsulfanylbutanamide
CID 157013097
3-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-1-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)urea
CID 86893050
2-amino-3-methoxy-N-[[4-(2-methoxyethoxy)phenyl]methyl]propanamide
CID 120985903

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide?
The IUPAC name of 2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide (CID 120988039) is 2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide is COCC(N)C(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide?
The InChIKey is YXSVVEOWYORQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-23-12-17(20)19(22)21-11-13-2-4-14(5-3-13)15-6-7-18-16(10-15)8-9-24-18/h2-7,10,17H,8-9,11-12,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide?
2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide has a molecular weight of 326.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide is sourced from PubChem (CID 120988039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).