2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide

C19H22N2O3 — CID 77440308

IUPAC2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide
SMILESCC(N)C(=O)Nc1ccc(Oc2cccc3c2C(C)(C)CO3)cc1
InChIInChI=1S/C19H22N2O3/c1-12(20)18(22)21-13-7-9-14(10-8-13)24-16-6-4-5-15-17(16)19(2,3)11-23-15/h4-10,12H,11,20H2,1-3H3,(H,21,22)
InChIKeyVZUVXJJEFHXDSK-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.43
Rot. Bonds4

About 2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide

2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide (PubChem CID 77440308) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide
PubChem CID77440308
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide
SMILESCC(N)C(=O)Nc1ccc(Oc2cccc3c2C(C)(C)CO3)cc1
InChIInChI=1S/C19H22N2O3/c1-12(20)18(22)21-13-7-9-14(10-8-13)24-16-6-4-5-15-17(16)19(2,3)11-23-15/h4-10,12H,11,20H2,1-3H3,(H,21,22)
InChIKeyVZUVXJJEFHXDSK-UHFFFAOYSA-N
XLogP3.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[4-(2-methoxyphenoxy)phenyl]propanamide;hydrochloride
CID 154915022
(2R)-2-amino-N-[4-(3-methoxy-4-methylphenoxy)phenyl]propanamide
CID 67235119
(2R)-2-amino-N-phenylpropanamide
CID 10607114
tert-butyl-[1-[[6-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]-3-pyridinyl]carbamoyl]cyclopropyl]carbamic acid
CID 86698427
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride
CID 119305650
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide
CID 3318399
2-amino-N-(4-fluorophenyl)propanamide;hydrochloride
CID 56832255
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
(2S)-2-amino-N-(1,3-benzodioxol-5-yl)propanamide
CID 22690584
(2S)-2-amino-N-(4-butan-2-yloxyphenyl)propanamide
CID 119298172

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide?
The IUPAC name of 2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide (CID 77440308) is 2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide.
What is the SMILES notation for 2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide?
The canonical SMILES for 2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide is CC(N)C(=O)Nc1ccc(Oc2cccc3c2C(C)(C)CO3)cc1.
What is the InChIKey of 2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide?
The InChIKey is VZUVXJJEFHXDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12(20)18(22)21-13-7-9-14(10-8-13)24-16-6-4-5-15-17(16)19(2,3)11-23-15/h4-10,12H,11,20H2,1-3H3,(H,21,22).
What are the key properties of 2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide?
2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide has a molecular weight of 326.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(3,3-dimethyl-2H-1-benzofuran-4-yl)oxy]phenyl]propanamide is sourced from PubChem (CID 77440308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).