2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid

C19H21N3O4 — CID 22092707

IUPAC2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid
SMILESCC(C)NC(=O)Nc1cccc(-c2ccc(C(=O)NCC(=O)O)cc2)c1
InChIInChI=1S/C19H21N3O4/c1-12(2)21-19(26)22-16-5-3-4-15(10-16)13-6-8-14(9-7-13)18(25)20-11-17(23)24/h3-10,12H,11H2,1-2H3,(H,20,25)(H,23,24)(H2,21,22,26)
InChIKeyJHZUMOCAPDEXBK-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.70
Rot. Bonds6

About 2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid

2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid (PubChem CID 22092707) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid
PubChem CID22092707
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid
SMILESCC(C)NC(=O)Nc1cccc(-c2ccc(C(=O)NCC(=O)O)cc2)c1
InChIInChI=1S/C19H21N3O4/c1-12(2)21-19(26)22-16-5-3-4-15(10-16)13-6-8-14(9-7-13)18(25)20-11-17(23)24/h3-10,12H,11H2,1-2H3,(H,20,25)(H,23,24)(H2,21,22,26)
InChIKeyJHZUMOCAPDEXBK-UHFFFAOYSA-N
XLogP2.70
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[3-(3,3,3-trifluoropropylcarbamoylamino)phenyl]benzoyl]amino]acetic acid
CID 22092703
N-[4-(ethylcarbamoyl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55814774
2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid
CID 90870302
3-[(4-phenylbenzoyl)amino]-N-propan-2-ylbenzamide
CID 17197336
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55932655
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672
3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
2-[3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]phenoxy]acetic acid
CID 119246830
(2R)-4-methyl-2-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]pentanoic acid
CID 119364531
4-(methoxymethyl)-N-[3-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 31886869
2-phenyl-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]propanoic acid
CID 119254635

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid (CID 22092707) is 2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid is CC(C)NC(=O)Nc1cccc(-c2ccc(C(=O)NCC(=O)O)cc2)c1.
What is the InChIKey of 2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid?
The InChIKey is JHZUMOCAPDEXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(2)21-19(26)22-16-5-3-4-15(10-16)13-6-8-14(9-7-13)18(25)20-11-17(23)24/h3-10,12H,11H2,1-2H3,(H,20,25)(H,23,24)(H2,21,22,26).
What are the key properties of 2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid?
2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid has a molecular weight of 355.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(propan-2-ylcarbamoylamino)phenyl]benzoyl]amino]acetic acid is sourced from PubChem (CID 22092707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).