2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide

C19H29N3O2 — CID 46999983

IUPAC2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
SMILESCOCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccnn1C
InChIInChI=1S/C19H29N3O2/c1-22-17(3-4-20-22)16(12-24-2)21-18(23)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-16H,5-12H2,1-2H3,(H,21,23)
InChIKeyHPZBUJKVGBLQCC-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.83
Rot. Bonds6

About 2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide

2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide (PubChem CID 46999983) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
PubChem CID46999983
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
SMILESCOCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccnn1C
InChIInChI=1S/C19H29N3O2/c1-22-17(3-4-20-22)16(12-24-2)21-18(23)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-16H,5-12H2,1-2H3,(H,21,23)
InChIKeyHPZBUJKVGBLQCC-UHFFFAOYSA-N
XLogP2.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N'-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]butanediamide
CID 46995765
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 126451107
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-naphthalen-1-yl-4-oxobutanamide
CID 135092129
2-(1-benzylpiperidin-4-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 124850321
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99948395
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 124755565
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 125168181
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91776008
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
CID 70766147
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,4-dithiepan-6-amine
CID 95189955
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,4-dithiepan-6-amine
CID 95189956
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide
CID 95144214

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide (CID 46999983) is 2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide is COCC(NC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccnn1C.
What is the InChIKey of 2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
The InChIKey is HPZBUJKVGBLQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-22-17(3-4-20-22)16(12-24-2)21-18(23)11-19-8-13-5-14(9-19)7-15(6-13)10-19/h3-4,13-16H,5-12H2,1-2H3,(H,21,23).
What are the key properties of 2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide?
2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 46999983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).