N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide

C21H25NO2 — CID 118204481

IUPACN-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide
SMILESC=CC(c1cccc(O)c1)C(C)C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C21H25NO2/c1-4-20(18-12-9-13-19(23)14-18)16(3)21(24)22(5-2)15-17-10-7-6-8-11-17/h4,6-14,16,20,23H,1,5,15H2,2-3H3
InChIKeyPKTHQNVNBYKONK-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.35
Rot. Bonds7

About N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide

N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide (PubChem CID 118204481) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide
PubChem CID118204481
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide
SMILESC=CC(c1cccc(O)c1)C(C)C(=O)N(CC)Cc1ccccc1
InChIInChI=1S/C21H25NO2/c1-4-20(18-12-9-13-19(23)14-18)16(3)21(24)22(5-2)15-17-10-7-6-8-11-17/h4,6-14,16,20,23H,1,5,15H2,2-3H3
InChIKeyPKTHQNVNBYKONK-UHFFFAOYSA-N
XLogP4.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-N-benzyl-N-ethyl-3-(3-methoxyphenyl)-2-methylpent-4-enamide
CID 118204661
(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide
CID 134922582
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enoic acid
CID 71623405
N,N,2-trimethyl-3-phenylpent-4-enamide
CID 132648038
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
(2R,3R)-2-methyl-3-(3-phenylmethoxyphenyl)pent-4-enamide
CID 118204605
N-ethyl-3-hydroxy-2-phenyl-N-(pyridin-4-ylmethyl)propanamide;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 67159601
2-[benzyl(ethyl)amino]-2-(3-hydroxyphenyl)ethanethioamide
CID 84749245
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
(3S)-3-(3-hydroxyphenyl)-2,4-dimethylpentanoic acid
CID 67429644
N-benzyl-N-ethyl-2-[(3-methoxyphenyl)methoxy]propanamide
CID 86985438

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide?
The IUPAC name of N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide (CID 118204481) is N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide.
What is the SMILES notation for N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide?
The canonical SMILES for N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide is C=CC(c1cccc(O)c1)C(C)C(=O)N(CC)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide?
The InChIKey is PKTHQNVNBYKONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-4-20(18-12-9-13-19(23)14-18)16(3)21(24)22(5-2)15-17-10-7-6-8-11-17/h4,6-14,16,20,23H,1,5,15H2,2-3H3.
What are the key properties of N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide?
N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide has a molecular weight of 323.44 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-3-(3-hydroxyphenyl)-2-methylpent-4-enamide is sourced from PubChem (CID 118204481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).