N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide

C16H28N2O2 — CID 79548763

IUPACN-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCCC1C1CCCCC1=O
InChIInChI=1S/C16H28N2O2/c1-16(2,3)17-15(20)11-18-10-6-8-13(18)12-7-4-5-9-14(12)19/h12-13H,4-11H2,1-3H3,(H,17,20)
InChIKeySWJLSTIAKIQYRL-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.12
Rot. Bonds3

About N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide

N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide (PubChem CID 79548763) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide
PubChem CID79548763
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide
SMILESCC(C)(C)NC(=O)CN1CCCC1C1CCCCC1=O
InChIInChI=1S/C16H28N2O2/c1-16(2,3)17-15(20)11-18-10-6-8-13(18)12-7-4-5-9-14(12)19/h12-13H,4-11H2,1-3H3,(H,17,20)
InChIKeySWJLSTIAKIQYRL-UHFFFAOYSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Proline scaffold, 9
CID 42618107
Proline scaffold, 10
CID 42618108
Proline scaffold, 29
CID 42618126
Proline scaffold, 30
CID 42618127
Proline scaffold, 33
CID 42618130
N-(1-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-3-methyl-1-oxobutan-2-yl)-4-methylcyclohexanecarboxamide
CID 3240291
Ac-Abu(cHex)-Val-Pro-NH2
CID 16732148
(2S)-N-[(2S)-1-[(1-carbamoylcyclohexyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 44281940
cyclo[N(Me)Ala-Aoda-N(CH2cHex)Gly-N(iBu)bAla]
CID 71455164
(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 75411403
(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-N-methylpyrrolidine-2-carboxamide
CID 75411407
(2S)-N-ethyl-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 75411486

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide (CID 79548763) is N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide is CC(C)(C)NC(=O)CN1CCCC1C1CCCCC1=O.
What is the InChIKey of N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide?
The InChIKey is SWJLSTIAKIQYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-16(2,3)17-15(20)11-18-10-6-8-13(18)12-7-4-5-9-14(12)19/h12-13H,4-11H2,1-3H3,(H,17,20).
What are the key properties of N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide?
N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide has a molecular weight of 280.41 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 79548763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).