N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide

C27H30N2O3 — CID 68731126

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide
SMILESCC=C(c1ccccc1)C(C(=O)Nc1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
InChIInChI=1S/C27H30N2O3/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(30)15-11-21)27(31)28-22-12-16-24(17-13-22)32-19-18-29(2)3/h4-17,26,30H,18-19H2,1-3H3,(H,28,31)
InChIKeyPYHHDMIOLCGOQD-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.16
Rot. Bonds9

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide (PubChem CID 68731126) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide
PubChem CID68731126
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide
SMILESCC=C(c1ccccc1)C(C(=O)Nc1ccc(OCCN(C)C)cc1)c1ccc(O)cc1
InChIInChI=1S/C27H30N2O3/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(30)15-11-21)27(31)28-22-12-16-24(17-13-22)32-19-18-29(2)3/h4-17,26,30H,18-19H2,1-3H3,(H,28,31)
InChIKeyPYHHDMIOLCGOQD-UHFFFAOYSA-N
XLogP5.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3,3-diphenylprop-2-enamide
CID 42603085
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;(4-hydroxyphenyl)-phenylmethanone
CID 159812426
3-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylpropanamide
CID 119844203
4-[4-[1-(4-hydroxyphenyl)-2-phenylbut-2-enyl]phenoxy]butanoic acid
CID 90901535
(Z)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxy-2-methylphenyl)-3-phenylpent-2-enamide
CID 68987216
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-3-(methylamino)propanamide
CID 79196203
(2R)-2-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylbutanamide
CID 79013043
N'-[4-[2-(dimethylamino)ethoxy]phenyl]-N-phenylbenzenecarboximidamide;dihydrobromide
CID 12935403
[4-[2-(dimethylamino)ethoxy]phenyl]-phenylmethanone;molybdenum
CID 159586330
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2,3-bis(4-hydroxyphenyl)pent-2-enamide
CID 68732320
(E)-N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(3-hydroxyphenyl)-3-phenylpent-2-enamide
CID 68732761
[4-[2-(dimethylamino)ethoxy]-2-hydroxyphenyl]-phenylmethanone
CID 3019350

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide (CID 68731126) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide is CC=C(c1ccccc1)C(C(=O)Nc1ccc(OCCN(C)C)cc1)c1ccc(O)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide?
The InChIKey is PYHHDMIOLCGOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(30)15-11-21)27(31)28-22-12-16-24(17-13-22)32-19-18-29(2)3/h4-17,26,30H,18-19H2,1-3H3,(H,28,31).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide has a molecular weight of 430.55 g/mol, XLogP of 5.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-hydroxyphenyl)-3-phenylpent-3-enamide is sourced from PubChem (CID 68731126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).