4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid

C15H17NO4 — CID 43214193

IUPAC4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid
SMILESC=CCN(CC=C)C(=O)COc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H17NO4/c1-3-9-16(10-4-2)14(17)11-20-13-7-5-12(6-8-13)15(18)19/h3-8H,1-2,9-11H2,(H,18,19)
InChIKeyFLWOQTMXECHASA-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.96
Rot. Bonds8

About 4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid

4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid (PubChem CID 43214193) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid
PubChem CID43214193
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid
SMILESC=CCN(CC=C)C(=O)COc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H17NO4/c1-3-9-16(10-4-2)14(17)11-20-13-7-5-12(6-8-13)15(18)19/h3-8H,1-2,9-11H2,(H,18,19)
InChIKeyFLWOQTMXECHASA-UHFFFAOYSA-N
XLogP1.96
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzene;4-prop-2-enoxybenzoic acid
CID 174857047
4-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]benzoic acid
CID 82071251
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 55306661
4-(4-pent-4-enoxyphenyl)benzoic acid
CID 19419405
benzyl 4-[2-[(2-ethoxy-2-oxoethyl)-prop-2-enylamino]-2-oxoethoxy]benzoate
CID 18511878
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-bromobenzoic acid
CID 103601808
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-5-iodobenzoic acid
CID 78909445
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 8902541
4-[[bis(ethenyl)-methylsilyl]methoxy]benzoic acid
CID 54001895
4-(2-methoxyethoxy)-N,N-bis(prop-2-enyl)benzamide
CID 17353510
3-(4-aminophenoxy)-N,N-bis(prop-2-enyl)propanamide
CID 61117568
2-(4-methoxyphenoxy)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)acetamide
CID 78801568

Frequently Asked Questions

What is the IUPAC name of 4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid?
The IUPAC name of 4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid (CID 43214193) is 4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid?
The canonical SMILES for 4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid is C=CCN(CC=C)C(=O)COc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid?
The InChIKey is FLWOQTMXECHASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-9-16(10-4-2)14(17)11-20-13-7-5-12(6-8-13)15(18)19/h3-8H,1-2,9-11H2,(H,18,19).
What are the key properties of 4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid?
4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 43214193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).