(5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

C20H21NO3 — CID 70653167

IUPAC(5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCCCCc1oc2ccc(N)cc2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H21NO3/c1-3-4-5-18-19(16-12-14(21)8-11-17(16)24-18)20(22)13-6-9-15(23-2)10-7-13/h6-12H,3-5,21H2,1-2H3
InChIKeyGSNCFVNDEATCBD-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.60
Rot. Bonds6

About (5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone

(5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (PubChem CID 70653167) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
PubChem CID70653167
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
SMILESCCCCc1oc2ccc(N)cc2c1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C20H21NO3/c1-3-4-5-18-19(16-12-14(21)8-11-17(16)24-18)20(22)13-6-9-15(23-2)10-7-13/h6-12H,3-5,21H2,1-2H3
InChIKeyGSNCFVNDEATCBD-UHFFFAOYSA-N
XLogP4.60
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5-amino-2-butyl-1-benzofuran-3-yl)-[4-(3-chloropropoxy)phenyl]methanone
CID 56926412
(4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone
CID 71263713
methyl 2-butyl-3-[4-(3-chloropropoxy)benzoyl]-1-benzofuran-5-carboxylate
CID 141302889
(5-amino-2-butyl-1-benzofuran-3-yl)-[4-[3-(dibutylamino)propoxy]-3,5-dimethylphenyl]methanone
CID 19754347
2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-carboxamide
CID 10207559
[4-(2-bromoethoxy)phenyl]-(2-butyl-5-nitro-1-benzofuran-3-yl)methanone
CID 19754380
[4-[2-butyl-5-(methanesulfonamido)-1-benzofuran-3-carbonyl]phenyl] trifluoromethanesulfonate
CID 71656620
4-(2-butyl-5-chloro-1-benzofuran-3-carbonyl)benzonitrile
CID 139937840
(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
CID 160606304
3-[4-[1-amino-1-(5-methylnonan-5-yloxy)pentyl]benzoyl]-2-butyl-1-benzofuran-5-carboxylic acid
CID 141051064
[4-(2-butyl-5-nitro-1-benzofuran-3-carbonyl)phenyl] 4-methylbenzenesulfonate
CID 71656411
(2-butyl-1-benzofuran-3-yl)-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methanone
CID 10199471

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone (CID 70653167) is (5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is CCCCc1oc2ccc(N)cc2c1C(=O)c1ccc(OC)cc1.
What is the InChIKey of (5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
The InChIKey is GSNCFVNDEATCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-3-4-5-18-19(16-12-14(21)8-11-17(16)24-18)20(22)13-6-9-15(23-2)10-7-13/h6-12H,3-5,21H2,1-2H3.
What are the key properties of (5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone?
(5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone has a molecular weight of 323.39 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 70653167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).