3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid

C19H22N2O4 — CID 122074318

IUPAC3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid
SMILESCCCOc1ccccc1NC(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C19H22N2O4/c1-2-12-25-17-9-4-3-8-16(17)21-19(24)20-15-7-5-6-14(13-15)10-11-18(22)23/h3-9,13H,2,10-12H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyPMYJFKAPUFWCMV-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.14
Rot. Bonds8

About 3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid

3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid (PubChem CID 122074318) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid
PubChem CID122074318
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid
SMILESCCCOc1ccccc1NC(=O)Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C19H22N2O4/c1-2-12-25-17-9-4-3-8-16(17)21-19(24)20-15-7-5-6-14(13-15)10-11-18(22)23/h3-9,13H,2,10-12H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyPMYJFKAPUFWCMV-UHFFFAOYSA-N
XLogP4.14
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[[2-(1,1,1-trifluoropropan-2-yloxy)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122093645
1-(2-butoxyphenyl)-3-phenylurea
CID 17087022
3-[3-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]phenyl]propanoic acid
CID 122079144
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
3-[3-[(3-propan-2-yloxyphenyl)carbamoylamino]phenyl]propanoic acid
CID 122094772
1,3-bis(2-butoxyphenyl)urea
CID 17170447
3-[3-[(3-propoxyphenyl)methylamino]phenyl]propanoic acid
CID 122044223
3-[3-(pentanoylamino)phenyl]propanoic acid
CID 28759634
3-[3-(tert-butylcarbamoylamino)phenyl]propanoic acid
CID 115339448
1-(2-butoxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 19187559
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
1-[3-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-(2-tetradecoxyphenyl)urea bromide
CID 67787451

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid?
The IUPAC name of 3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid (CID 122074318) is 3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid is CCCOc1ccccc1NC(=O)Nc1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid?
The InChIKey is PMYJFKAPUFWCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-12-25-17-9-4-3-8-16(17)21-19(24)20-15-7-5-6-14(13-15)10-11-18(22)23/h3-9,13H,2,10-12H2,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of 3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid?
3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid has a molecular weight of 342.40 g/mol, XLogP of 4.14, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-propoxyphenyl)carbamoylamino]phenyl]propanoic acid is sourced from PubChem (CID 122074318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).