4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide

C15H22N2O3 — CID 120590979

IUPAC4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-19-12(9-16)8-15(18)17-10-11-6-7-20-14-5-3-2-4-13(11)14/h2-5,11-12H,6-10,16H2,1H3,(H,17,18)
InChIKeyFXTBCHWWLJLFQY-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.03
Rot. Bonds6

About 4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide

4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide (PubChem CID 120590979) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide
PubChem CID120590979
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC1CCOc2ccccc21
InChIInChI=1S/C15H22N2O3/c1-19-12(9-16)8-15(18)17-10-11-6-7-20-14-5-3-2-4-13(11)14/h2-5,11-12H,6-10,16H2,1H3,(H,17,18)
InChIKeyFXTBCHWWLJLFQY-UHFFFAOYSA-N
XLogP1.03
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide 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

3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-phenylpropanamide;hydrochloride
CID 119950922
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223
2-(cyclopropylmethylamino)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide;hydrochloride
CID 119762189
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119762185
ethyl 2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoate
CID 115628852
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 110709252
1-cyclopropyl-N-(3,4-dihydro-2H-chromen-4-ylmethyl)methanamine
CID 63708653
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-methylbenzamide
CID 110709241
3-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)pyrazine-2-carboxamide
CID 119126287
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
(2R)-2-(3,4-dihydro-2H-chromen-4-ylmethylamino)propanoic acid
CID 104768961

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide?
The IUPAC name of 4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide (CID 120590979) is 4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide is COC(CN)CC(=O)NCC1CCOc2ccccc21.
What is the InChIKey of 4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide?
The InChIKey is FXTBCHWWLJLFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-12(9-16)8-15(18)17-10-11-6-7-20-14-5-3-2-4-13(11)14/h2-5,11-12H,6-10,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide?
4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide has a molecular weight of 278.35 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methoxybutanamide is sourced from PubChem (CID 120590979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).