(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide

C27H29NO3 — CID 94012105

IUPAC(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1
InChIInChI=1S/C27H29NO3/c1-18-8-6-11-24(16-18)31-19(2)26(30)28-23-10-7-9-21(17-23)25(29)20-12-14-22(15-13-20)27(3,4)5/h6-17,19H,1-5H3,(H,28,30)/t19-/m1/s1
InChIKeyDTCHKKAOZWZJKN-LJQANCHMSA-N
MW415.53 g/mol
LogP5.93
Rot. Bonds6

About (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide

(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide (PubChem CID 94012105) has the molecular formula C27H29NO3 and a molecular weight of 415.53 g/mol. Its IUPAC name is (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide
PubChem CID94012105
Molecular FormulaC27H29NO3
Molecular Weight415.53 g/mol
Exact Mass415.21
IUPAC Name(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1
InChIInChI=1S/C27H29NO3/c1-18-8-6-11-24(16-18)31-19(2)26(30)28-23-10-7-9-21(17-23)25(29)20-12-14-22(15-13-20)27(3,4)5/h6-17,19H,1-5H3,(H,28,30)/t19-/m1/s1
InChIKeyDTCHKKAOZWZJKN-LJQANCHMSA-N
XLogP5.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.53
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-chlorophenoxy)propanamide
CID 94016671
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(4-fluorophenoxy)propanamide
CID 46778387
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92675891
N-[3-(4-tert-butylbenzoyl)phenyl]-2-(2-chlorophenoxy)propanamide
CID 43908425
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197514
N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
3-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17222669

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide (CID 94012105) is (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1.
What is the InChIKey of (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is DTCHKKAOZWZJKN-LJQANCHMSA-N. The full InChI is InChI=1S/C27H29NO3/c1-18-8-6-11-24(16-18)31-19(2)26(30)28-23-10-7-9-21(17-23)25(29)20-12-14-22(15-13-20)27(3,4)5/h6-17,19H,1-5H3,(H,28,30)/t19-/m1/s1.
What are the key properties of (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide?
(2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 415.53 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(4-tert-butylbenzoyl)phenyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 94012105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).