2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide

C26H29BrN2O3 — CID 132679559

IUPAC2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(CCc1ccccc1)C(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C26H29BrN2O3/c1-3-16-28-26(31)19(2)29(17-15-20-9-5-4-6-10-20)24(30)18-32-23-14-13-21-11-7-8-12-22(21)25(23)27/h4-14,19H,3,15-18H2,1-2H3,(H,28,31)
InChIKeyMSYIGKAFPRNSCM-UHFFFAOYSA-N
MW497.43 g/mol
LogP4.97
Rot. Bonds10

About 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide

2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide (PubChem CID 132679559) has the molecular formula C26H29BrN2O3 and a molecular weight of 497.43 g/mol. Its IUPAC name is 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide
PubChem CID132679559
Molecular FormulaC26H29BrN2O3
Molecular Weight497.43 g/mol
Exact Mass496.14
IUPAC Name2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(CCc1ccccc1)C(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C26H29BrN2O3/c1-3-16-28-26(31)19(2)29(17-15-20-9-5-4-6-10-20)24(30)18-32-23-14-13-21-11-7-8-12-22(21)25(23)27/h4-14,19H,3,15-18H2,1-2H3,(H,28,31)
InChIKeyMSYIGKAFPRNSCM-UHFFFAOYSA-N
XLogP4.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
CID 132677451
(2S)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3,4-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 100508191
(2R)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 100514676
(2S)-2-[[2-(4-bromophenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100534513
2-[[2-(2,4-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 132660352
(2R)-2-[[2-(2,5-dimethylphenoxy)acetyl]-(2-phenylethyl)amino]-N-propylpropanamide
CID 100534809
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-chlorophenyl)methyl]amino]-N-butylpropanamide
CID 133154192
2-[benzyl-[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-butyl-3-phenylpropanamide
CID 133152636
2-[benzyl-(2-naphthalen-1-yloxyacetyl)amino]-N-propylpropanamide
CID 132662254
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-methoxyphenyl)methyl]amino]-N-butylpropanamide
CID 132732897
(2S)-2-[benzyl-[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-N-propan-2-ylbutanamide
CID 100732269
2-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-(2-phenylethyl)amino]-N-butylpropanamide
CID 132726293

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide (CID 132679559) is 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide is CCCNC(=O)C(C)N(CCc1ccccc1)C(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide?
The InChIKey is MSYIGKAFPRNSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29BrN2O3/c1-3-16-28-26(31)19(2)29(17-15-20-9-5-4-6-10-20)24(30)18-32-23-14-13-21-11-7-8-12-22(21)25(23)27/h4-14,19H,3,15-18H2,1-2H3,(H,28,31).
What are the key properties of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide?
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide has a molecular weight of 497.43 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-(2-phenylethyl)amino]-N-propylpropanamide is sourced from PubChem (CID 132679559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).