N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide

C16H28N4O2 — CID 111538964

IUPACN-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCN(C)C(CNC(=O)CC1(O)CCCCC1)c1cnn(C)c1
InChIInChI=1S/C16H28N4O2/c1-19(2)14(13-10-18-20(3)12-13)11-17-15(21)9-16(22)7-5-4-6-8-16/h10,12,14,22H,4-9,11H2,1-3H3,(H,17,21)
InChIKeyCFKJJRMFFGPLGJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.22
Rot. Bonds6

About N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide

N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111538964) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111538964
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide
SMILESCN(C)C(CNC(=O)CC1(O)CCCCC1)c1cnn(C)c1
InChIInChI=1S/C16H28N4O2/c1-19(2)14(13-10-18-20(3)12-13)11-17-15(21)9-16(22)7-5-4-6-8-16/h10,12,14,22H,4-9,11H2,1-3H3,(H,17,21)
InChIKeyCFKJJRMFFGPLGJ-UHFFFAOYSA-N
XLogP1.22
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(2-oxoazocan-1-yl)acetamide
CID 126782275
N-[(2S)-4-[[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 95980508
3-[(2R)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 124737436
ethyl 3-(dimethylamino)-3-(1-methylpyrazol-4-yl)propanoate
CID 64541804
1-cyclohexyl-3-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-methylguanidine
CID 111790294
4-(adamantane-1-carbonyl)-N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 86970486
2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97241002
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1S)-2-methyl-1-phenylpropyl]urea
CID 95771367
1-[(2S)-2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-[(1R)-2-methyl-1-phenylpropyl]urea
CID 95771368
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290396
N-tert-butyl-2-[[[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]-(ethylamino)methylidene]amino]acetamide
CID 111797332
1-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-3-(2,4-dimethylphenyl)urea
CID 56792355

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide (CID 111538964) is N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide is CN(C)C(CNC(=O)CC1(O)CCCCC1)c1cnn(C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is CFKJJRMFFGPLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-19(2)14(13-10-18-20(3)12-13)11-17-15(21)9-16(22)7-5-4-6-8-16/h10,12,14,22H,4-9,11H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide?
N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111538964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).