N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide

C18H20N2O2 — CID 82174588

IUPACN-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2ccc(C(N)c3ccccc3)cc21
InChIInChI=1S/C18H20N2O2/c1-12(21)20-16-9-10-22-17-8-7-14(11-15(16)17)18(19)13-5-3-2-4-6-13/h2-8,11,16,18H,9-10,19H2,1H3,(H,20,21)
InChIKeyPGXORWWMWUJERG-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.69
Rot. Bonds3

About N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide

N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide (PubChem CID 82174588) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
PubChem CID82174588
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
SMILESCC(=O)NC1CCOc2ccc(C(N)c3ccccc3)cc21
InChIInChI=1S/C18H20N2O2/c1-12(21)20-16-9-10-22-17-8-7-14(11-15(16)17)18(19)13-5-3-2-4-6-13/h2-8,11,16,18H,9-10,19H2,1H3,(H,20,21)
InChIKeyPGXORWWMWUJERG-UHFFFAOYSA-N
XLogP2.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[amino(cyclohexyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174592
N-[6-[amino(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174587
N-[6-[furan-2-yl(hydroxy)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174602
N-[6-(1-hydroxypentyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174599
N-[6-[hydroxy(oxolan-2-yl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82174603
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 82174716
(2R)-2-amino-N-(3,4-dihydro-2H-chromen-4-yl)-2-phenylacetamide
CID 61180627
(2S,3R)-3-amino-N-[(4S)-6-bromo-3,4-dihydro-2H-chromen-4-yl]-2-methyl-3-phenylpropanamide
CID 124863977
3-amino-N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2-methyl-3-phenylpropanamide
CID 119042645
N-[6-(1-aminobutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82174673
N-[6-(1-amino-2-methylbutyl)-3,4-dihydro-2H-chromen-4-yl]cyclopropanecarboxamide
CID 82174676
N-[6-(2-chloroacetyl)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 82166058

Frequently Asked Questions

What is the IUPAC name of N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The IUPAC name of N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide (CID 82174588) is N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide.
What is the SMILES notation for N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The canonical SMILES for N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide is CC(=O)NC1CCOc2ccc(C(N)c3ccccc3)cc21.
What is the InChIKey of N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
The InChIKey is PGXORWWMWUJERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12(21)20-16-9-10-22-17-8-7-14(11-15(16)17)18(19)13-5-3-2-4-6-13/h2-8,11,16,18H,9-10,19H2,1H3,(H,20,21).
What are the key properties of N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide?
N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide has a molecular weight of 296.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[amino(phenyl)methyl]-3,4-dihydro-2H-chromen-4-yl]acetamide is sourced from PubChem (CID 82174588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).