(E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide

C15H17N3O2 — CID 176908605

IUPAC(E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1O)NCCCn1ccnc1
InChIInChI=1S/C15H17N3O2/c19-14-5-2-1-4-13(14)6-7-15(20)17-8-3-10-18-11-9-16-12-18/h1-2,4-7,9,11-12,19H,3,8,10H2,(H,17,20)/b7-6+
InChIKeyCZWAMXJXYMSXKI-VOTSOKGWSA-N
MW271.32 g/mol
LogP1.81
Rot. Bonds6

About (E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide

(E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide (PubChem CID 176908605) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is (E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
PubChem CID176908605
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name(E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccccc1O)NCCCn1ccnc1
InChIInChI=1S/C15H17N3O2/c19-14-5-2-1-4-13(14)6-7-15(20)17-8-3-10-18-11-9-16-12-18/h1-2,4-7,9,11-12,19H,3,8,10H2,(H,17,20)/b7-6+
InChIKeyCZWAMXJXYMSXKI-VOTSOKGWSA-N
XLogP1.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-fluorophenyl)-N-(2-imidazol-1-ylethyl)prop-2-enamide
CID 90264827
(E)-N-(3-imidazol-1-ylpropyl)-3-[2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 78838533
(E)-N-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 27397163
(E)-3-(1,3-benzothiazol-2-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide
CID 56789537
N-(4-imidazol-1-ylbutyl)but-2-enamide
CID 78968417
(E)-3-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 6310678
3-[3-chloro-4-(dimethylamino)phenyl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 76585380
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 78780942
(E)-N-(4-imidazol-1-ylbutyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 166204567
(E)-3-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]-N-pentylprop-2-enamide
CID 18349565
4-[3-(2-imidazol-1-ylethylamino)-3-oxoprop-1-enyl]benzoic acid;hydrochloride
CID 157466680
3-imidazol-1-ylpropylurea
CID 22179621

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide (CID 176908605) is (E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide is O=C(/C=C/c1ccccc1O)NCCCn1ccnc1.
What is the InChIKey of (E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide?
The InChIKey is CZWAMXJXYMSXKI-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-14-5-2-1-4-13(14)6-7-15(20)17-8-3-10-18-11-9-16-12-18/h1-2,4-7,9,11-12,19H,3,8,10H2,(H,17,20)/b7-6+.
What are the key properties of (E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide?
(E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide has a molecular weight of 271.32 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide is sourced from PubChem (CID 176908605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).