(2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide

C22H29NO — CID 101414320

IUPAC(2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide
SMILESCCC[C@@H](C)C(=O)N(c1ccccc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C22H29NO/c1-6-12-17(2)21(24)23(18-13-8-7-9-14-18)20-16-11-10-15-19(20)22(3,4)5/h7-11,13-17H,6,12H2,1-5H3/t17-/m1/s1
InChIKeyDMDSAOJHMCBVFU-QGZVFWFLSA-N
MW323.48 g/mol
LogP6.09
Rot. Bonds5

About (2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide

(2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide (PubChem CID 101414320) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is (2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide.

Molecular Properties

Compound Name(2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide
PubChem CID101414320
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name(2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide
SMILESCCC[C@@H](C)C(=O)N(c1ccccc1)c1ccccc1C(C)(C)C
InChIInChI=1S/C22H29NO/c1-6-12-17(2)21(24)23(18-13-8-7-9-14-18)20-16-11-10-15-19(20)22(3,4)5/h7-11,13-17H,6,12H2,1-5H3/t17-/m1/s1
InChIKeyDMDSAOJHMCBVFU-QGZVFWFLSA-N
XLogP6.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide?
The IUPAC name of (2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide (CID 101414320) is (2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide.
What is the SMILES notation for (2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide?
The canonical SMILES for (2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide is CCC[C@@H](C)C(=O)N(c1ccccc1)c1ccccc1C(C)(C)C.
What is the InChIKey of (2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide?
The InChIKey is DMDSAOJHMCBVFU-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H29NO/c1-6-12-17(2)21(24)23(18-13-8-7-9-14-18)20-16-11-10-15-19(20)22(3,4)5/h7-11,13-17H,6,12H2,1-5H3/t17-/m1/s1.
What are the key properties of (2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide?
(2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide has a molecular weight of 323.48 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-tert-butylphenyl)-2-methyl-N-phenylpentanamide is sourced from PubChem (CID 101414320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).