N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide

C27H38N2O4 — CID 132718121

IUPACN-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H38N2O4/c1-8-19(2)28-26(31)20(3)29(17-21-9-13-23(32-7)14-10-21)25(30)18-33-24-15-11-22(12-16-24)27(4,5)6/h9-16,19-20H,8,17-18H2,1-7H3,(H,28,31)
InChIKeyJAYZFGLLIQHOGW-UHFFFAOYSA-N
MW454.61 g/mol
LogP4.70
Rot. Bonds10

About N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide

N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide (PubChem CID 132718121) has the molecular formula C27H38N2O4 and a molecular weight of 454.61 g/mol. Its IUPAC name is N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
PubChem CID132718121
Molecular FormulaC27H38N2O4
Molecular Weight454.61 g/mol
Exact Mass454.28
IUPAC NameN-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
SMILESCCC(C)NC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C27H38N2O4/c1-8-19(2)28-26(31)20(3)29(17-21-9-13-23(32-7)14-10-21)25(30)18-33-24-15-11-22(12-16-24)27(4,5)6/h9-16,19-20H,8,17-18H2,1-7H3,(H,28,31)
InChIKeyJAYZFGLLIQHOGW-UHFFFAOYSA-N
XLogP4.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.61
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]propanamide
CID 100623510
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-tert-butylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 100606413
(2R)-N-[(2R)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]propanamide
CID 100558794
(2S)-N-[(2R)-butan-2-yl]-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100617427
(2S)-N-[(2S)-butan-2-yl]-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100617441
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-tert-butylphenoxy)acetyl]-[(3,4-dichlorophenyl)methyl]amino]propanamide
CID 100588959
(2R)-N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100549077
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-methylphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 100549094
(2S)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]propanamide
CID 100584104
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100619503
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-fluorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 100575098
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 100599959

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide (CID 132718121) is N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide is CCC(C)NC(=O)C(C)N(Cc1ccc(OC)cc1)C(=O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is JAYZFGLLIQHOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O4/c1-8-19(2)28-26(31)20(3)29(17-21-9-13-23(32-7)14-10-21)25(30)18-33-24-15-11-22(12-16-24)27(4,5)6/h9-16,19-20H,8,17-18H2,1-7H3,(H,28,31).
What are the key properties of N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide?
N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 454.61 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[[2-(4-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132718121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).