2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide

C13H20N2O3 — CID 62477129

IUPAC2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
SMILESCOCCC(N)C(=O)NC1CCCc2occc21
InChIInChI=1S/C13H20N2O3/c1-17-7-6-10(14)13(16)15-11-3-2-4-12-9(11)5-8-18-12/h5,8,10-11H,2-4,6-7,14H2,1H3,(H,15,16)
InChIKeyHNLKAZUMGDKILV-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.14
Rot. Bonds5

About 2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide

2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide (PubChem CID 62477129) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
PubChem CID62477129
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
SMILESCOCCC(N)C(=O)NC1CCCc2occc21
InChIInChI=1S/C13H20N2O3/c1-17-7-6-10(14)13(16)15-11-3-2-4-12-9(11)5-8-18-12/h5,8,10-11H,2-4,6-7,14H2,1H3,(H,15,16)
InChIKeyHNLKAZUMGDKILV-UHFFFAOYSA-N
XLogP1.14
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273942
(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 61274318
2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273758
2-amino-4-methoxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 62475195
2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate
CID 61068662
2-methoxy-N-[4-methylsulfanyl-1-oxo-1-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)butan-2-yl]benzamide
CID 78849384
4-amino-2-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 107207796
N-(2,3-dimethoxypropyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 107093981
2-methylsulfanyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 42949896
2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 61273578
2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 81172884
2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 120993751

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide (CID 62477129) is 2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide is COCCC(N)C(=O)NC1CCCc2occc21.
What is the InChIKey of 2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
The InChIKey is HNLKAZUMGDKILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-17-7-6-10(14)13(16)15-11-3-2-4-12-9(11)5-8-18-12/h5,8,10-11H,2-4,6-7,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide?
2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide has a molecular weight of 252.31 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide is sourced from PubChem (CID 62477129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).