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

C19H22N2O2 — CID 119758146

IUPAC3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H22N2O2/c1-13(20)10-19(22)21-12-14-2-4-15(5-3-14)16-6-7-18-17(11-16)8-9-23-18/h2-7,11,13H,8-10,12,20H2,1H3,(H,21,22)
InChIKeyHONPZVDOPNWNBZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.64
Rot. Bonds5

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

3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide (PubChem CID 119758146) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide
PubChem CID119758146
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C19H22N2O2/c1-13(20)10-19(22)21-12-14-2-4-15(5-3-14)16-6-7-18-17(11-16)8-9-23-18/h2-7,11,13H,8-10,12,20H2,1H3,(H,21,22)
InChIKeyHONPZVDOPNWNBZ-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-3-methoxypropanamide
CID 120988039
sodium 4-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methylamino]-4-oxobutanoate
CID 167799892
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)butanamide
CID 115154170
(2S)-2-amino-3-[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]propanoic acid
CID 172529875
2-amino-N-[[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]methyl]-3-methoxypropanamide
CID 120988314
1-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2,3-dimethylguanidine
CID 75493790
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-sulfanylacetamide
CID 115167217
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)pentanamide
CID 110787032
N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 49012669
6-amino-1-(2,3-dihydro-1-benzofuran-5-yl)heptan-3-one
CID 116571723
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxopropanamide
CID 115175685

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide (CID 119758146) is 3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide is CC(N)CC(=O)NCc1ccc(-c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of 3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide?
The InChIKey is HONPZVDOPNWNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13(20)10-19(22)21-12-14-2-4-15(5-3-14)16-6-7-18-17(11-16)8-9-23-18/h2-7,11,13H,8-10,12,20H2,1H3,(H,21,22).
What are the key properties of 3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide?
3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide has a molecular weight of 310.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]butanamide is sourced from PubChem (CID 119758146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).