4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid

C20H23N3O4 — CID 119168848

IUPAC4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-13(2)22-20(27)23-17-9-7-15(8-10-17)18(24)21-12-11-14-3-5-16(6-4-14)19(25)26/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,27)
InChIKeyNBXZMXOEJNSZTC-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.89
Rot. Bonds7

About 4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid

4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid (PubChem CID 119168848) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid
PubChem CID119168848
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid
SMILESCC(C)NC(=O)Nc1ccc(C(=O)NCCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-13(2)22-20(27)23-17-9-7-15(8-10-17)18(24)21-12-11-14-3-5-16(6-4-14)19(25)26/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,27)
InChIKeyNBXZMXOEJNSZTC-UHFFFAOYSA-N
XLogP2.89
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid with MolForge

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Related Compounds

N-(2-aminoethyl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119384323
N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 119432618
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
4-ethyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38175728
4-[2-(4-chlorophenyl)ethylcarbamoylamino]benzoic acid
CID 108891822
N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 60506191
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
4-(methoxymethyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38196484
4-[2-[[4-[[methyl(2-methylpropanoyl)amino]methyl]benzoyl]amino]ethyl]benzoic acid
CID 120513002
4-acetamido-N-[4-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 38166611
1-[4-[[[N'-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111295988
2-[2-phenylethyl-[4-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid
CID 119347559

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid (CID 119168848) is 4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid is CC(C)NC(=O)Nc1ccc(C(=O)NCCc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid?
The InChIKey is NBXZMXOEJNSZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(2)22-20(27)23-17-9-7-15(8-10-17)18(24)21-12-11-14-3-5-16(6-4-14)19(25)26/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,25,26)(H2,22,23,27).
What are the key properties of 4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid?
4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid has a molecular weight of 369.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 119168848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).