N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide

C17H20N2O3 — CID 166432347

IUPACN-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide
SMILESNC(=O)CCN(C(=O)C12CC1C2)C1CCOc2ccccc21
InChIInChI=1S/C17H20N2O3/c18-15(20)5-7-19(16(21)17-9-11(17)10-17)13-6-8-22-14-4-2-1-3-12(13)14/h1-4,11,13H,5-10H2,(H2,18,20)
InChIKeyRYHJDJLTUDXKHA-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.62
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide

N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 166432347) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide
PubChem CID166432347
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide
SMILESNC(=O)CCN(C(=O)C12CC1C2)C1CCOc2ccccc21
InChIInChI=1S/C17H20N2O3/c18-15(20)5-7-19(16(21)17-9-11(17)10-17)13-6-8-22-14-4-2-1-3-12(13)14/h1-4,11,13H,5-10H2,(H2,18,20)
InChIKeyRYHJDJLTUDXKHA-UHFFFAOYSA-N
XLogP1.62
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide with MolForge

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Related Compounds

3-[cyclopropyl(3,4-dihydro-2H-chromen-4-yl)amino]propanoic acid
CID 65054445
3-[tert-butyl(3,4-dihydro-2H-chromen-4-yl)amino]propanoic acid
CID 65058709
2-(3,4-dihydro-2H-chromen-4-ylmethylamino)acetamide
CID 104768242
N-(3,4-dihydro-2H-chromen-4-yl)-N-methylpentanamide
CID 110751142
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
4-(3,4-dihydro-2H-chromen-4-yl)butanoic acid
CID 104772494
1-(3,4-dihydro-2H-chromen-4-yl)-1-methyl-3-propan-2-ylurea
CID 110750876
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-hydroxypropanamide
CID 106171125
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
CID 134794474
3-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpropanamide
CID 62364889
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide (CID 166432347) is N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide is NC(=O)CCN(C(=O)C12CC1C2)C1CCOc2ccccc21.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is RYHJDJLTUDXKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c18-15(20)5-7-19(16(21)17-9-11(17)10-17)13-6-8-22-14-4-2-1-3-12(13)14/h1-4,11,13H,5-10H2,(H2,18,20).
What are the key properties of N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide?
N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 166432347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).