3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide

C14H20N2O2 — CID 119775004

IUPAC3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide
SMILESCc1ccc2c(c1C)OCC2NC(=O)CC(C)N
InChIInChI=1S/C14H20N2O2/c1-8-4-5-11-12(7-18-14(11)10(8)3)16-13(17)6-9(2)15/h4-5,9,12H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyOWKDHCURBZIYLF-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.59
Rot. Bonds3

About 3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide

3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide (PubChem CID 119775004) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide.

Molecular Properties

Compound Name3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide
PubChem CID119775004
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide
SMILESCc1ccc2c(c1C)OCC2NC(=O)CC(C)N
InChIInChI=1S/C14H20N2O2/c1-8-4-5-11-12(7-18-14(11)10(8)3)16-13(17)6-9(2)15/h4-5,9,12H,6-7,15H2,1-3H3,(H,16,17)
InChIKeyOWKDHCURBZIYLF-UHFFFAOYSA-N
XLogP1.59
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[ethyl(methyl)amino]propanamide
CID 95907268
N-[1-[(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)amino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 155944309
1-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225198
N-[(3R)-6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl]-N'-(3-fluorophenyl)oxamide
CID 95568995
3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]butanamide
CID 79524440
3-amino-N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)butanamide;hydrochloride
CID 120874099
N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide
CID 136526903
3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 119745353
3-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-1-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)urea
CID 91643899
N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931190
(8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
CID 82241454
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 60837944

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide?
The IUPAC name of 3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide (CID 119775004) is 3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide.
What is the SMILES notation for 3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide?
The canonical SMILES for 3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide is Cc1ccc2c(c1C)OCC2NC(=O)CC(C)N.
What is the InChIKey of 3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide?
The InChIKey is OWKDHCURBZIYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-8-4-5-11-12(7-18-14(11)10(8)3)16-13(17)6-9(2)15/h4-5,9,12H,6-7,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide?
3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide has a molecular weight of 248.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanamide is sourced from PubChem (CID 119775004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).