3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide

C21H24N4O2 — CID 46957009

IUPAC3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
SMILESCC(NC(=O)CC(C)n1nnc2ccccc21)c1ccc2c(c1)CCCO2
InChIInChI=1S/C21H24N4O2/c1-14(25-19-8-4-3-7-18(19)23-24-25)12-21(26)22-15(2)16-9-10-20-17(13-16)6-5-11-27-20/h3-4,7-10,13-15H,5-6,11-12H2,1-2H3,(H,22,26)
InChIKeyGALRSZDQVQXDMR-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.58
Rot. Bonds5

About 3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide

3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide (PubChem CID 46957009) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
PubChem CID46957009
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
SMILESCC(NC(=O)CC(C)n1nnc2ccccc21)c1ccc2c(c1)CCCO2
InChIInChI=1S/C21H24N4O2/c1-14(25-19-8-4-3-7-18(19)23-24-25)12-21(26)22-15(2)16-9-10-20-17(13-16)6-5-11-27-20/h3-4,7-10,13-15H,5-6,11-12H2,1-2H3,(H,22,26)
InChIKeyGALRSZDQVQXDMR-UHFFFAOYSA-N
XLogP3.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 46971557
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methyltriazol-1-yl)acetamide
CID 51587150
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
CID 92582479
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
CID 92582478
N-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(1-methylindazol-3-yl)acetamide
CID 136587134
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 51592382
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 51592381
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methoxy-1-oxophthalazin-2-yl)acetamide
CID 51592399
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 134036096
N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 136554167
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 51592387
2-(3,4-dihydro-2H-chromen-6-ylmethylamino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95123738

Frequently Asked Questions

What is the IUPAC name of 3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide?
The IUPAC name of 3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide (CID 46957009) is 3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide.
What is the SMILES notation for 3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide?
The canonical SMILES for 3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide is CC(NC(=O)CC(C)n1nnc2ccccc21)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide?
The InChIKey is GALRSZDQVQXDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14(25-19-8-4-3-7-18(19)23-24-25)12-21(26)22-15(2)16-9-10-20-17(13-16)6-5-11-27-20/h3-4,7-10,13-15H,5-6,11-12H2,1-2H3,(H,22,26).
What are the key properties of 3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide?
3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide has a molecular weight of 364.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide is sourced from PubChem (CID 46957009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).