2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide

C23H29BrN2O4 — CID 133146106

IUPAC2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide
SMILESCOc1ccccc1OCC(=O)N(Cc1ccc(Br)cc1)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C23H29BrN2O4/c1-16(22(28)25-23(2,3)4)26(14-17-10-12-18(24)13-11-17)21(27)15-30-20-9-7-6-8-19(20)29-5/h6-13,16H,14-15H2,1-5H3,(H,25,28)
InChIKeyRFBUZRVYGQRTHV-UHFFFAOYSA-N
MW477.40 g/mol
LogP4.17
Rot. Bonds8

About 2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide

2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide (PubChem CID 133146106) has the molecular formula C23H29BrN2O4 and a molecular weight of 477.40 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide
PubChem CID133146106
Molecular FormulaC23H29BrN2O4
Molecular Weight477.40 g/mol
Exact Mass476.13
IUPAC Name2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide
SMILESCOc1ccccc1OCC(=O)N(Cc1ccc(Br)cc1)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C23H29BrN2O4/c1-16(22(28)25-23(2,3)4)26(14-17-10-12-18(24)13-11-17)21(27)15-30-20-9-7-6-8-19(20)29-5/h6-13,16H,14-15H2,1-5H3,(H,25,28)
InChIKeyRFBUZRVYGQRTHV-UHFFFAOYSA-N
XLogP4.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[2-(2-tert-butylphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132718159
2-[[2-(4-bromophenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-tert-butylpropanamide
CID 132719995
2-[(4-bromophenyl)methyl-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-tert-butylpropanamide
CID 133146340
N-tert-butyl-2-[[2-(2-tert-butylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132714720
2-[(4-bromophenyl)methyl-[2-(2-tert-butylphenoxy)acetyl]amino]-N-methylpropanamide
CID 132614233
2-[benzyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132657876
2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132660881
N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 132721636
N-[(4-bromophenyl)methyl]-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 133146384
(2R)-2-[(4-bromophenyl)methyl-[2-(2-tert-butylphenoxy)acetyl]amino]-N-butylpropanamide
CID 100578702
(2R)-2-[[2-(2-methoxyphenoxy)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 100523170
(2R)-2-[(4-bromophenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-methylpropanamide
CID 100654834

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide (CID 133146106) is 2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide is COc1ccccc1OCC(=O)N(Cc1ccc(Br)cc1)C(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide?
The InChIKey is RFBUZRVYGQRTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O4/c1-16(22(28)25-23(2,3)4)26(14-17-10-12-18(24)13-11-17)21(27)15-30-20-9-7-6-8-19(20)29-5/h6-13,16H,14-15H2,1-5H3,(H,25,28).
What are the key properties of 2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide?
2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide has a molecular weight of 477.40 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-tert-butylpropanamide is sourced from PubChem (CID 133146106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).