(4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

C18H27NO — CID 106982171

IUPAC(4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)c2ccc(C(C)(C)C)cc2)CCNC1
InChIInChI=1S/C18H27NO/c1-13(2)18(10-11-19-12-18)16(20)14-6-8-15(9-7-14)17(3,4)5/h6-9,13,19H,10-12H2,1-5H3
InChIKeyNPEBGUCIGPUDMN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.80
Rot. Bonds3

About (4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone

(4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106982171) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106982171
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)c2ccc(C(C)(C)C)cc2)CCNC1
InChIInChI=1S/C18H27NO/c1-13(2)18(10-11-19-12-18)16(20)14-6-8-15(9-7-14)17(3,4)5/h6-9,13,19H,10-12H2,1-5H3
InChIKeyNPEBGUCIGPUDMN-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-propan-2-ylpyrrolidin-3-yl)-pyrimidin-5-ylmethanone
CID 106982102
(3-propan-2-yloxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982068
(5-methoxy-3-pyridinyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982335
(4-fluoro-2-methylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982245
(2,3-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982352
4-methyl-3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106979941
(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981337
(4-methoxy-2,5-dimethylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982073
(2,5-dimethoxyphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982097
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980261
N-(3,3-dimethylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981240

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106982171) is (4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)C1(C(=O)c2ccc(C(C)(C)C)cc2)CCNC1.
What is the InChIKey of (4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is NPEBGUCIGPUDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-13(2)18(10-11-19-12-18)16(20)14-6-8-15(9-7-14)17(3,4)5/h6-9,13,19H,10-12H2,1-5H3.
What are the key properties of (4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone?
(4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 273.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106982171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).