(2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide

C28H31BrN2O3 — CID 100569652

IUPAC(2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide
SMILESC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C28H31BrN2O3/c1-20(28(33)30-24-10-3-2-4-11-24)31(18-21-14-16-23(29)17-15-21)27(32)19-34-26-13-7-9-22-8-5-6-12-25(22)26/h5-9,12-17,20,24H,2-4,10-11,18-19H2,1H3,(H,30,33)/t20-/m1/s1
InChIKeyPDRUKOJNFXRMRY-HXUWFJFHSA-N
MW523.47 g/mol
LogP5.85
Rot. Bonds8

About (2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide

(2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide (PubChem CID 100569652) has the molecular formula C28H31BrN2O3 and a molecular weight of 523.47 g/mol. Its IUPAC name is (2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide
PubChem CID100569652
Molecular FormulaC28H31BrN2O3
Molecular Weight523.47 g/mol
Exact Mass522.15
IUPAC Name(2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide
SMILESC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)COc1cccc2ccccc12
InChIInChI=1S/C28H31BrN2O3/c1-20(28(33)30-24-10-3-2-4-11-24)31(18-21-14-16-23(29)17-15-21)27(32)19-34-26-13-7-9-22-8-5-6-12-25(22)26/h5-9,12-17,20,24H,2-4,10-11,18-19H2,1H3,(H,30,33)/t20-/m1/s1
InChIKeyPDRUKOJNFXRMRY-HXUWFJFHSA-N
XLogP5.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.47
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(4-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
CID 132614384
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 133175489
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 133196412
N-cyclohexyl-2-[(2-fluorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]propanamide
CID 133174875
(2S)-2-[(4-chlorophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylbutanamide
CID 100560742
N-cyclopentyl-2-[(4-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132613892
(2R)-N-cyclohexyl-2-[(4-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-3-phenylpropanamide
CID 100589127
N-cyclohexyl-2-[(4-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-3-phenylpropanamide
CID 133176812
(2S)-2-[(4-bromophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100569134
(2R)-2-[(4-bromophenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100569833
2-[(3-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexyl-3-phenylpropanamide
CID 133253044
(2R)-2-[(4-bromophenyl)methyl-[2-(4-iodophenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 100570531

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide?
The IUPAC name of (2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide (CID 100569652) is (2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide.
What is the SMILES notation for (2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide?
The canonical SMILES for (2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide is C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Br)cc1)C(=O)COc1cccc2ccccc12.
What is the InChIKey of (2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide?
The InChIKey is PDRUKOJNFXRMRY-HXUWFJFHSA-N. The full InChI is InChI=1S/C28H31BrN2O3/c1-20(28(33)30-24-10-3-2-4-11-24)31(18-21-14-16-23(29)17-15-21)27(32)19-34-26-13-7-9-22-8-5-6-12-25(22)26/h5-9,12-17,20,24H,2-4,10-11,18-19H2,1H3,(H,30,33)/t20-/m1/s1.
What are the key properties of (2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide?
(2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide has a molecular weight of 523.47 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromophenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 100569652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).