(E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide

C14H15N3O2 — CID 166182918

IUPAC(E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1cnc[nH]1)c1cccc(O)c1
InChIInChI=1S/C14H15N3O2/c1-10(11-3-2-4-13(18)7-11)17-14(19)6-5-12-8-15-9-16-12/h2-10,18H,1H3,(H,15,16)(H,17,19)/b6-5+/t10-/m0/s1
InChIKeyCHYMWAUKLVZKLG-PORFMDCZSA-N
MW257.29 g/mol
LogP2.01
Rot. Bonds4

About (E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide

(E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide (PubChem CID 166182918) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide
PubChem CID166182918
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide
SMILESC[C@H](NC(=O)/C=C/c1cnc[nH]1)c1cccc(O)c1
InChIInChI=1S/C14H15N3O2/c1-10(11-3-2-4-13(18)7-11)17-14(19)6-5-12-8-15-9-16-12/h2-10,18H,1H3,(H,15,16)(H,17,19)/b6-5+/t10-/m0/s1
InChIKeyCHYMWAUKLVZKLG-PORFMDCZSA-N
XLogP2.01
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
CID 91343948
3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol
CID 62761945
N-[1-(1H-imidazol-5-yl)ethyl]-3-phenylprop-2-enamide
CID 171148172
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
N-[1-[3-(1H-imidazol-5-yl)phenyl]ethyl]acetamide
CID 70479516
(E)-1-(1H-imidazol-5-yl)-4-methylpent-1-en-3-one;molecular hydrogen
CID 167492334
tert-butyl N-[(1R)-1-(3-hydroxyphenyl)ethyl]carbamate
CID 56955758
ethane;(E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
CID 90887883
1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea
CID 95239729
(E)-3-pyridin-4-yl-N-[1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
CID 20791792
(E)-3-(3-aminophenyl)-N-[(1R)-1-pyridin-3-ylethyl]prop-2-enamide
CID 115344800
(Z)-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]but-2-enediamide
CID 98573401

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide (CID 166182918) is (E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide is C[C@H](NC(=O)/C=C/c1cnc[nH]1)c1cccc(O)c1.
What is the InChIKey of (E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide?
The InChIKey is CHYMWAUKLVZKLG-PORFMDCZSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(11-3-2-4-13(18)7-11)17-14(19)6-5-12-8-15-9-16-12/h2-10,18H,1H3,(H,15,16)(H,17,19)/b6-5+/t10-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide?
(E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide has a molecular weight of 257.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide is sourced from PubChem (CID 166182918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).