N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide

C22H29NO2 — CID 4836017

IUPACN-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1cc(C(C)(C)C)ccc1OC)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-6-10-18(16-11-8-7-9-12-16)21(24)23-19-15-17(22(2,3)4)13-14-20(19)25-5/h7-9,11-15,18H,6,10H2,1-5H3,(H,23,24)
InChIKeyHCBAWFJAUCXNDZ-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.52
Rot. Bonds6

About N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide

N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide (PubChem CID 4836017) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide
PubChem CID4836017
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC NameN-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide
SMILESCCCC(C(=O)Nc1cc(C(C)(C)C)ccc1OC)c1ccccc1
InChIInChI=1S/C22H29NO2/c1-6-10-18(16-11-8-7-9-12-16)21(24)23-19-15-17(22(2,3)4)13-14-20(19)25-5/h7-9,11-15,18H,6,10H2,1-5H3,(H,23,24)
InChIKeyHCBAWFJAUCXNDZ-UHFFFAOYSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-phenylpentanamide
CID 18169494
2-(aminomethyl)-N-(5-tert-butyl-2-methoxyphenyl)pentanamide
CID 65225620
(2R)-N-(2,4-dimethoxyphenyl)-2-phenylpentanamide
CID 7697928
N-(5-tert-butyl-2-methoxyphenyl)-3,3-diphenylpropanamide
CID 2457700
2-amino-N-(5-tert-butyl-2-methoxyphenyl)hexanamide
CID 60852777
N-(2-methoxyphenyl)-4-[[(2S)-2-phenylpentanoyl]amino]benzamide
CID 9245233
N-(3-amino-4-methoxyphenyl)-2-phenylpentanamide;hydrochloride
CID 119419153
2-amino-N-(5-tert-butyl-2-methoxyphenyl)propanamide
CID 43424856
(2R)-2-amino-N-(5-tert-butyl-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928652
N-(2-methylphenyl)-2-phenylpentanamide
CID 78775166
methyl 4-methyl-3-[[(2S)-2-phenylpentanoyl]amino]benzoate
CID 7920421
(2S)-N-(2,4-difluorophenyl)-2-phenylpentanamide
CID 2547216

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide?
The IUPAC name of N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide (CID 4836017) is N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide.
What is the SMILES notation for N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide?
The canonical SMILES for N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide is CCCC(C(=O)Nc1cc(C(C)(C)C)ccc1OC)c1ccccc1.
What is the InChIKey of N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide?
The InChIKey is HCBAWFJAUCXNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-6-10-18(16-11-8-7-9-12-16)21(24)23-19-15-17(22(2,3)4)13-14-20(19)25-5/h7-9,11-15,18H,6,10H2,1-5H3,(H,23,24).
What are the key properties of N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide?
N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide has a molecular weight of 339.48 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-methoxyphenyl)-2-phenylpentanamide is sourced from PubChem (CID 4836017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).