2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide

C28H30Br2N2O3 — CID 133175489

IUPAC2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C28H30Br2N2O3/c1-19(28(34)31-23-8-3-2-4-9-23)32(17-20-11-14-22(29)15-12-20)26(33)18-35-25-16-13-21-7-5-6-10-24(21)27(25)30/h5-7,10-16,19,23H,2-4,8-9,17-18H2,1H3,(H,31,34)
InChIKeyKJDICIVOJUJMFW-UHFFFAOYSA-N
MW602.37 g/mol
LogP6.61
Rot. Bonds8

About 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide

2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide (PubChem CID 133175489) has the molecular formula C28H30Br2N2O3 and a molecular weight of 602.37 g/mol. Its IUPAC name is 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide
PubChem CID133175489
Molecular FormulaC28H30Br2N2O3
Molecular Weight602.37 g/mol
Exact Mass600.06
IUPAC Name2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide
SMILESCC(C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C28H30Br2N2O3/c1-19(28(34)31-23-8-3-2-4-9-23)32(17-20-11-14-22(29)15-12-20)26(33)18-35-25-16-13-21-7-5-6-10-24(21)27(25)30/h5-7,10-16,19,23H,2-4,8-9,17-18H2,1H3,(H,31,34)
InChIKeyKJDICIVOJUJMFW-UHFFFAOYSA-N
XLogP6.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.37
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 133196412
(2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide
CID 100569652
(2R)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100547367
(2R)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100567449
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-chlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132630551
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132629738
N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
CID 132614384
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133249082
(2R)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100719383
(2S)-2-[(4-bromophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100569134
(2S)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(3-bromophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100521955
(2R)-2-[(4-bromophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100569833

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide (CID 133175489) is 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide is CC(C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide?
The InChIKey is KJDICIVOJUJMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Br2N2O3/c1-19(28(34)31-23-8-3-2-4-9-23)32(17-20-11-14-22(29)15-12-20)26(33)18-35-25-16-13-21-7-5-6-10-24(21)27(25)30/h5-7,10-16,19,23H,2-4,8-9,17-18H2,1H3,(H,31,34).
What are the key properties of 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide?
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide has a molecular weight of 602.37 g/mol, XLogP of 6.61, 8 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]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 133175489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).