N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide

C17H25N3O2 — CID 134128099

IUPACN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
SMILESCC1NNC(C)C1CC(=O)NC[C@H]1CCc2ccccc2O1
InChIInChI=1S/C17H25N3O2/c1-11-15(12(2)20-19-11)9-17(21)18-10-14-8-7-13-5-3-4-6-16(13)22-14/h3-6,11-12,14-15,19-20H,7-10H2,1-2H3,(H,18,21)/t11?,12?,14-,15?/m1/s1
InChIKeyZDDZACSVVLBPDM-NQRDHLDYSA-N
MW303.41 g/mol
LogP1.39
Rot. Bonds4

About N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide

N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide (PubChem CID 134128099) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
PubChem CID134128099
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
SMILESCC1NNC(C)C1CC(=O)NC[C@H]1CCc2ccccc2O1
InChIInChI=1S/C17H25N3O2/c1-11-15(12(2)20-19-11)9-17(21)18-10-14-8-7-13-5-3-4-6-16(13)22-14/h3-6,11-12,14-15,19-20H,7-10H2,1-2H3,(H,18,21)/t11?,12?,14-,15?/m1/s1
InChIKeyZDDZACSVVLBPDM-NQRDHLDYSA-N
XLogP1.39
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
CID 54477156
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74241623
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 77082448
2-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 50948436
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70739570
2-[(1R)-cyclopent-2-en-1-yl]-N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 39236349
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
9-(3,4-dihydro-2H-chromen-2-ylmethylamino)-1-methylsulfanylnonan-2-one
CID 143619575
N-[[7-(benzenesulfonyl)-3,4-dihydro-2H-chromen-2-yl]methyl]propanamide
CID 69089444

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide?
The IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide (CID 134128099) is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide.
What is the SMILES notation for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide?
The canonical SMILES for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide is CC1NNC(C)C1CC(=O)NC[C@H]1CCc2ccccc2O1.
What is the InChIKey of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide?
The InChIKey is ZDDZACSVVLBPDM-NQRDHLDYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-11-15(12(2)20-19-11)9-17(21)18-10-14-8-7-13-5-3-4-6-16(13)22-14/h3-6,11-12,14-15,19-20H,7-10H2,1-2H3,(H,18,21)/t11?,12?,14-,15?/m1/s1.
What are the key properties of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide?
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide is sourced from PubChem (CID 134128099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).