(2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide

C27H31NO2 — CID 28572482

IUPAC(2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H31NO2/c1-19-11-13-22(14-12-19)25(21-9-7-6-8-10-21)28-26(29)20(2)30-24-17-15-23(16-18-24)27(3,4)5/h6-18,20,25H,1-5H3,(H,28,29)/t20-,25+/m0/s1
InChIKeyWUIPTYVCIGOPPY-NBGIEHNGSA-N
MW401.55 g/mol
LogP5.97
Rot. Bonds6

About (2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide

(2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide (PubChem CID 28572482) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
PubChem CID28572482
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Name(2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
SMILESCc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1
InChIInChI=1S/C27H31NO2/c1-19-11-13-22(14-12-19)25(21-9-7-6-8-10-21)28-26(29)20(2)30-24-17-15-23(16-18-24)27(3,4)5/h6-18,20,25H,1-5H3,(H,28,29)/t20-,25+/m0/s1
InChIKeyWUIPTYVCIGOPPY-NBGIEHNGSA-N
XLogP5.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247
N-benzhydryl-2-(4-phenylphenoxy)propanamide
CID 19191531
N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
CID 132651097
(2R)-2-(3-methoxyphenoxy)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28569116
(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
CID 7930955
(2R)-2-(2-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 30382529
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide
CID 8604783

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide?
The IUPAC name of (2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide (CID 28572482) is (2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide.
What is the SMILES notation for (2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide?
The canonical SMILES for (2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide is Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide?
The InChIKey is WUIPTYVCIGOPPY-NBGIEHNGSA-N. The full InChI is InChI=1S/C27H31NO2/c1-19-11-13-22(14-12-19)25(21-9-7-6-8-10-21)28-26(29)20(2)30-24-17-15-23(16-18-24)27(3,4)5/h6-18,20,25H,1-5H3,(H,28,29)/t20-,25+/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide?
(2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide has a molecular weight of 401.55 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide is sourced from PubChem (CID 28572482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).