N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C18H26N2O2 — CID 113170396

IUPACN-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H26N2O2/c1-14(21)20(13-17(22)19-11-7-8-12-19)16-10-6-5-9-15(16)18(2,3)4/h5-6,9-10H,7-8,11-13H2,1-4H3
InChIKeyQQFKBTZQPQXXAO-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.96
Rot. Bonds3

About N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 113170396) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID113170396
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCC(=O)N(CC(=O)N1CCCC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H26N2O2/c1-14(21)20(13-17(22)19-11-7-8-12-19)16-10-6-5-9-15(16)18(2,3)4/h5-6,9-10H,7-8,11-13H2,1-4H3
InChIKeyQQFKBTZQPQXXAO-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113170409
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-ethylphenyl)acetamide
CID 113169098
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-chlorophenyl)acetamide
CID 113171182
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-fluorophenyl)acetamide
CID 113170791
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-(2-propan-2-ylphenyl)acetamide
CID 113169578
N-(2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173112
N-[2-(azepan-1-yl)-2-oxoethyl]-N-(2-propan-2-ylphenyl)acetamide
CID 113169653
N-[2-(azepan-1-yl)-2-oxoethyl]-N-phenylacetamide
CID 113167153
2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113170522
N-(2-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171118
2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide
CID 113170397
N-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113179337

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 113170396) is N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is CC(=O)N(CC(=O)N1CCCC1)c1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is QQFKBTZQPQXXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(21)20(13-17(22)19-11-7-8-12-19)16-10-6-5-9-15(16)18(2,3)4/h5-6,9-10H,7-8,11-13H2,1-4H3.
What are the key properties of N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 302.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 113170396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).