N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide

C16H19N3O2 — CID 92582479

IUPACN-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
SMILESC[C@H](NC(=O)Cn1ccnc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H19N3O2/c1-12(18-16(20)10-19-7-6-17-11-19)13-4-5-15-14(9-13)3-2-8-21-15/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyGFSMOLKEDINHBI-LBPRGKRZSA-N
MW285.35 g/mol
LogP2.09
Rot. Bonds4

About N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide

N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide (PubChem CID 92582479) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
PubChem CID92582479
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
SMILESC[C@H](NC(=O)Cn1ccnc1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C16H19N3O2/c1-12(18-16(20)10-19-7-6-17-11-19)13-4-5-15-14(9-13)3-2-8-21-15/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyGFSMOLKEDINHBI-LBPRGKRZSA-N
XLogP2.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide
CID 92582478
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-[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-dimethylphenyl)ethyl]-2-imidazol-1-ylacetamide
CID 36795605
N-[(1R)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 51592387
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-(4-methoxy-1-oxophthalazin-2-yl)acetamide
CID 51592399
3-(benzotriazol-1-yl)-N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 46957009
2-(3,4-dihydro-2H-chromen-6-ylmethylamino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95123738
N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 136554167
N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-imidazol-1-ylacetamide
CID 97031370

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide (CID 92582479) is N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide is C[C@H](NC(=O)Cn1ccnc1)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide?
The InChIKey is GFSMOLKEDINHBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(18-16(20)10-19-7-6-17-11-19)13-4-5-15-14(9-13)3-2-8-21-15/h4-7,9,11-12H,2-3,8,10H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide?
N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide has a molecular weight of 285.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 92582479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).