2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid

C21H24N2O5 — CID 119181827

IUPAC2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(OCC(=O)O)c2)cc1
InChIInChI=1S/C21H24N2O5/c1-4-21(2,3)23-20(27)14-8-10-16(11-9-14)22-19(26)15-6-5-7-17(12-15)28-13-18(24)25/h5-12H,4,13H2,1-3H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyCCMHFJPIRIFXPD-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.32
Rot. Bonds8

About 2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid

2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid (PubChem CID 119181827) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid
PubChem CID119181827
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(OCC(=O)O)c2)cc1
InChIInChI=1S/C21H24N2O5/c1-4-21(2,3)23-20(27)14-8-10-16(11-9-14)22-19(26)15-6-5-7-17(12-15)28-13-18(24)25/h5-12H,4,13H2,1-3H3,(H,22,26)(H,23,27)(H,24,25)
InChIKeyCCMHFJPIRIFXPD-UHFFFAOYSA-N
XLogP3.32
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 17297148
3-(carbamoylamino)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 99193425
3-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 5204623
2-(4-benzamidophenoxy)acetic acid
CID 3830392
3,4,5-trimethoxy-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 55891061
4-amino-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]benzamide
CID 119738238
2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119182217
2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 1336713
N-(4-benzamidophenyl)-3-(2-ethoxyethoxy)benzamide
CID 17235482
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid
CID 139610039

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid (CID 119181827) is 2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid is CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cccc(OCC(=O)O)c2)cc1.
What is the InChIKey of 2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid?
The InChIKey is CCMHFJPIRIFXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-4-21(2,3)23-20(27)14-8-10-16(11-9-14)22-19(26)15-6-5-7-17(12-15)28-13-18(24)25/h5-12H,4,13H2,1-3H3,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of 2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid?
2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid has a molecular weight of 384.43 g/mol, XLogP of 3.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119181827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).