2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide

C17H25N3O2 — CID 95282016

IUPAC2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
SMILESC[C@@H](NC(=O)CNC(=O)CC1CCCCC1)c1ccncc1
InChIInChI=1S/C17H25N3O2/c1-13(15-7-9-18-10-8-15)20-17(22)12-19-16(21)11-14-5-3-2-4-6-14/h7-10,13-14H,2-6,11-12H2,1H3,(H,19,21)(H,20,22)/t13-/m1/s1
InChIKeyIIEXPZNZBWIEEN-CYBMUJFWSA-N
MW303.41 g/mol
LogP2.35
Rot. Bonds6

About 2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide

2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide (PubChem CID 95282016) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
PubChem CID95282016
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
SMILESC[C@@H](NC(=O)CNC(=O)CC1CCCCC1)c1ccncc1
InChIInChI=1S/C17H25N3O2/c1-13(15-7-9-18-10-8-15)20-17(22)12-19-16(21)11-14-5-3-2-4-6-14/h7-10,13-14H,2-6,11-12H2,1H3,(H,19,21)(H,20,22)/t13-/m1/s1
InChIKeyIIEXPZNZBWIEEN-CYBMUJFWSA-N
XLogP2.35
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 64616162
2-(azetidin-3-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 81409827
2-amino-N-[2-oxo-2-(1-pyridin-4-ylethylamino)ethyl]acetamide
CID 60848302
N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide
CID 42959318
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
2-cyclopentyl-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 27811841
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]-2-cyclohexylacetamide
CID 94066099
(2R)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 119369009
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 34760296
2-cyclopentyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 41088887
N-[1-[4-(aminomethyl)phenyl]ethyl]-2-cyclobutylacetamide
CID 103161396
N-cyclopentyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]acetamide
CID 81409773

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide (CID 95282016) is 2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide is C[C@@H](NC(=O)CNC(=O)CC1CCCCC1)c1ccncc1.
What is the InChIKey of 2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide?
The InChIKey is IIEXPZNZBWIEEN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(15-7-9-18-10-8-15)20-17(22)12-19-16(21)11-14-5-3-2-4-6-14/h7-10,13-14H,2-6,11-12H2,1H3,(H,19,21)(H,20,22)/t13-/m1/s1.
What are the key properties of 2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide?
2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide is sourced from PubChem (CID 95282016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).