[2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate

C22H24N2O3 — CID 69170469

IUPAC[2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate
SMILESC=CCc1ccc(OC(=O)CN)c(-c2ccc(C(=O)CN)c(CC=C)c2)c1
InChIInChI=1S/C22H24N2O3/c1-3-5-15-7-10-21(27-22(26)14-24)19(11-15)17-8-9-18(20(25)13-23)16(12-17)6-4-2/h3-4,7-12H,1-2,5-6,13-14,23-24H2
InChIKeyDUZVKZDMDZGSIB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.82
Rot. Bonds9

About [2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate

[2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate (PubChem CID 69170469) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is [2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate.

Molecular Properties

Compound Name[2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate
PubChem CID69170469
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name[2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate
SMILESC=CCc1ccc(OC(=O)CN)c(-c2ccc(C(=O)CN)c(CC=C)c2)c1
InChIInChI=1S/C22H24N2O3/c1-3-5-15-7-10-21(27-22(26)14-24)19(11-15)17-8-9-18(20(25)13-23)16(12-17)6-4-2/h3-4,7-12H,1-2,5-6,13-14,23-24H2
InChIKeyDUZVKZDMDZGSIB-UHFFFAOYSA-N
XLogP2.82
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylphenyl] acetate
CID 45269977
CID 87728429
CID 87728429
4-(2-propan-2-yloxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 54756875
2-amino-3-[2-[4-(3-aminopropanoyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl]prop-2-enoic acid;dihydrochloride
CID 142695824
4-(2-methoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 11857938
[4-(2-methoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenyl] 4-methylpiperazine-1-carboxylate
CID 178027426
2-amino-1-(2-prop-2-enylphenyl)ethanone
CID 69248800
2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol
CID 73334664
[2-(4-hydroxy-3-nitro-5-prop-2-enylphenyl)-4-prop-2-enylphenyl] dodecanoate
CID 155683028
4-[2-(2-formyloxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-oxobutanoic acid
CID 87721756
4-(2-dodecoxy-5-prop-2-enylphenyl)-2-prop-2-enylphenol
CID 155030696
N-[2,4-bis(prop-2-enyl)phenoxy]acetamide
CID 141350333

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate?
The IUPAC name of [2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate (CID 69170469) is [2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate.
What is the SMILES notation for [2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate?
The canonical SMILES for [2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate is C=CCc1ccc(OC(=O)CN)c(-c2ccc(C(=O)CN)c(CC=C)c2)c1.
What is the InChIKey of [2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate?
The InChIKey is DUZVKZDMDZGSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-5-15-7-10-21(27-22(26)14-24)19(11-15)17-8-9-18(20(25)13-23)16(12-17)6-4-2/h3-4,7-12H,1-2,5-6,13-14,23-24H2.
What are the key properties of [2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate?
[2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate has a molecular weight of 364.45 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-aminoacetyl)-3-prop-2-enylphenyl]-4-prop-2-enylphenyl] 2-aminoacetate is sourced from PubChem (CID 69170469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).