4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid

C19H19NO4 — CID 122107026

IUPAC4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)C2(Oc3ccccc3)CC2)cc1
InChIInChI=1S/C19H19NO4/c21-17(22)15-8-6-14(7-9-15)10-13-20-18(23)19(11-12-19)24-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,23)(H,21,22)
InChIKeyCXEFVPAHLSYETA-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.66
Rot. Bonds7

About 4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid

4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid (PubChem CID 122107026) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid
PubChem CID122107026
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNC(=O)C2(Oc3ccccc3)CC2)cc1
InChIInChI=1S/C19H19NO4/c21-17(22)15-8-6-14(7-9-15)10-13-20-18(23)19(11-12-19)24-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,23)(H,21,22)
InChIKeyCXEFVPAHLSYETA-UHFFFAOYSA-N
XLogP2.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(4-aminooxane-4-carbonyl)amino]ethyl]benzoic acid
CID 115294524
5-[[(1-phenoxycyclopropanecarbonyl)amino]methyl]thiophene-2-carboxylic acid
CID 122110206
anisole;4-[2-(ethylamino)ethyl]benzoic acid
CID 174444655
N-(2-phenylethyl)-3-[4-(trifluoromethyl)phenoxy]-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24824108
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
4-[[(1-phenoxycyclopropanecarbonyl)amino]methyl]oxane-4-carboxylic acid
CID 122108588
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233735
4-[2-[(4,4-difluoropiperidine-1-carbonyl)amino]ethyl]benzoic acid
CID 166240238
4-[2-[(2-methoxy-2-phenylacetyl)amino]ethyl]benzoic acid
CID 119038942
4-[2-[[2-(1-aminocyclopentyl)acetyl]amino]ethyl]benzoic acid
CID 64677981
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
4-[2-[3-(2-methylphenyl)propanoylamino]ethyl]benzoic acid
CID 119168685

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid (CID 122107026) is 4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid is O=C(O)c1ccc(CCNC(=O)C2(Oc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid?
The InChIKey is CXEFVPAHLSYETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-17(22)15-8-6-14(7-9-15)10-13-20-18(23)19(11-12-19)24-16-4-2-1-3-5-16/h1-9H,10-13H2,(H,20,23)(H,21,22).
What are the key properties of 4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid?
4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid has a molecular weight of 325.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-phenoxycyclopropanecarbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 122107026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).