(2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide

C24H31ClN2O3 — CID 100717518

IUPAC(2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
SMILESCc1ccc(C)c(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1
InChIInChI=1S/C24H31ClN2O3/c1-16(2)13-26-24(29)19(5)27(14-20-7-6-8-21(25)12-20)23(28)15-30-22-11-17(3)9-10-18(22)4/h6-12,16,19H,13-15H2,1-5H3,(H,26,29)/t19-/m1/s1
InChIKeyTUHOGGMXOIJAHK-LJQANCHMSA-N
MW430.98 g/mol
LogP4.53
Rot. Bonds9

About (2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide

(2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 100717518) has the molecular formula C24H31ClN2O3 and a molecular weight of 430.98 g/mol. Its IUPAC name is (2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
PubChem CID100717518
Molecular FormulaC24H31ClN2O3
Molecular Weight430.98 g/mol
Exact Mass430.20
IUPAC Name(2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
SMILESCc1ccc(C)c(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1
InChIInChI=1S/C24H31ClN2O3/c1-16(2)13-26-24(29)19(5)27(14-20-7-6-8-21(25)12-20)23(28)15-30-22-11-17(3)9-10-18(22)4/h6-12,16,19H,13-15H2,1-5H3,(H,26,29)/t19-/m1/s1
InChIKeyTUHOGGMXOIJAHK-LJQANCHMSA-N
XLogP4.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.98
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-ethylpropanamide
CID 132763709
2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 133153373
2-[benzyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132704766
2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 133247270
(2S)-2-[[2-(3-chlorophenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 100718707
(2R)-2-[[2-(4-bromo-3-methylphenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 100717224
(2R)-2-[[2-(4-tert-butylphenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 100717445
N-butyl-2-[(4-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]propanamide
CID 132711780
(2S)-2-[[2-(2-bromo-4-chlorophenoxy)acetyl]-[(3-bromophenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 100729305
2-[[2-(2,4-dichlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132667145
(2R)-2-[(3-bromophenyl)methyl-[2-(3-chlorophenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 100730834
2-[(2,6-dichlorophenyl)methyl-[2-(2,4-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132721020

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of (2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide (CID 100717518) is (2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide is Cc1ccc(C)c(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1.
What is the InChIKey of (2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide?
The InChIKey is TUHOGGMXOIJAHK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31ClN2O3/c1-16(2)13-26-24(29)19(5)27(14-20-7-6-8-21(25)12-20)23(28)15-30-22-11-17(3)9-10-18(22)4/h6-12,16,19H,13-15H2,1-5H3,(H,26,29)/t19-/m1/s1.
What are the key properties of (2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide?
(2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 430.98 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 100717518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).