2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid

C21H24N2O5 — CID 119224414

IUPAC2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
SMILESCC(C)Oc1cccc(CC(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)c1
InChIInChI=1S/C21H24N2O5/c1-14(2)28-18-5-3-4-16(10-18)12-20(25)23-17-8-6-15(7-9-17)11-19(24)22-13-21(26)27/h3-10,14H,11-13H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)
InChIKeyHQZCJRKBEBFVRF-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.40
Rot. Bonds9

About 2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid

2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid (PubChem CID 119224414) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
PubChem CID119224414
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
SMILESCC(C)Oc1cccc(CC(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)c1
InChIInChI=1S/C21H24N2O5/c1-14(2)28-18-5-3-4-16(10-18)12-20(25)23-17-8-6-15(7-9-17)11-19(24)22-13-21(26)27/h3-10,14H,11-13H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)
InChIKeyHQZCJRKBEBFVRF-UHFFFAOYSA-N
XLogP2.40
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid with MolForge

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Related Compounds

3-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]propanoic acid
CID 119252327
2-phenyl-N-(3-propan-2-yloxyphenyl)acetamide
CID 6458056
2-[[2-[4-[2-(3-propan-2-ylphenoxy)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224616
2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224311
2-methyl-4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]benzoic acid
CID 119240314
2-[[2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224501
2-[[2-[[2-(3-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387533
5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119234678
2-[[2-[(3-propan-2-yloxybenzoyl)amino]acetyl]amino]acetic acid
CID 62919115
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
2-[[2-[4-[(2-methoxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224391

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid (CID 119224414) is 2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid is CC(C)Oc1cccc(CC(=O)Nc2ccc(CC(=O)NCC(=O)O)cc2)c1.
What is the InChIKey of 2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid?
The InChIKey is HQZCJRKBEBFVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-14(2)28-18-5-3-4-16(10-18)12-20(25)23-17-8-6-15(7-9-17)11-19(24)22-13-21(26)27/h3-10,14H,11-13H2,1-2H3,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid?
2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid has a molecular weight of 384.43 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid is sourced from PubChem (CID 119224414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).