2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide

C27H29ClN2O4 — CID 43887734

IUPAC2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc(NC(=O)C(C)Oc3ccccc3Cl)cc2)c1
InChIInChI=1S/C27H29ClN2O4/c1-17(2)22-14-9-18(3)15-25(22)33-16-26(31)29-20-10-12-21(13-11-20)30-27(32)19(4)34-24-8-6-5-7-23(24)28/h5-15,17,19H,16H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyVJXAQDQQRWIQEF-UHFFFAOYSA-N
MW480.99 g/mol
LogP6.20
Rot. Bonds9

About 2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide

2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide (PubChem CID 43887734) has the molecular formula C27H29ClN2O4 and a molecular weight of 480.99 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
PubChem CID43887734
Molecular FormulaC27H29ClN2O4
Molecular Weight480.99 g/mol
Exact Mass480.18
IUPAC Name2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2ccc(NC(=O)C(C)Oc3ccccc3Cl)cc2)c1
InChIInChI=1S/C27H29ClN2O4/c1-17(2)22-14-9-18(3)15-25(22)33-16-26(31)29-20-10-12-21(13-11-20)30-27(32)19(4)34-24-8-6-5-7-23(24)28/h5-15,17,19H,16H2,1-4H3,(H,29,31)(H,30,32)
InChIKeyVJXAQDQQRWIQEF-UHFFFAOYSA-N
XLogP6.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.99
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 43887713
2-(2-chlorophenoxy)-N-[4-[[2-(2,4-dibromophenoxy)acetyl]amino]phenyl]propanamide
CID 43887726
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
2-(2-chlorophenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 24537782
2-(2-chlorophenoxy)-N-[4-[[2-(3-ethylphenoxy)acetyl]amino]phenyl]propanamide
CID 43912205
N-(3-methylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 682181
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
2-(2-chlorophenoxy)-N-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanamide
CID 43887894
N'-[2-(2-chlorophenoxy)acetyl]-2-(2,5-dimethylphenoxy)propanehydrazide
CID 4945053
2-(5-methyl-2-propan-2-ylphenoxy)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 17071417
N-(4-cyanophenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 921044
N-(4-acetamidophenyl)-2-(2-chloro-5-methylphenoxy)acetamide
CID 7731856

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide (CID 43887734) is 2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(NC(=O)C(C)Oc3ccccc3Cl)cc2)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide?
The InChIKey is VJXAQDQQRWIQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O4/c1-17(2)22-14-9-18(3)15-25(22)33-16-26(31)29-20-10-12-21(13-11-20)30-27(32)19(4)34-24-8-6-5-7-23(24)28/h5-15,17,19H,16H2,1-4H3,(H,29,31)(H,30,32).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide?
2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide has a molecular weight of 480.99 g/mol, XLogP of 6.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 43887734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).