N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide

C22H29NO4 — CID 110308885

IUPACN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)CCCCc2ccccc2)cc1OC
InChIInChI=1S/C22H29NO4/c1-23(22(25)12-8-7-11-17-9-5-4-6-10-17)16-19(24)18-13-14-20(26-2)21(15-18)27-3/h4-6,9-10,13-15,19,24H,7-8,11-12,16H2,1-3H3
InChIKeyFSBCOEPLHDXCIC-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.61
Rot. Bonds10

About N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide

N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide (PubChem CID 110308885) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide
PubChem CID110308885
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)CCCCc2ccccc2)cc1OC
InChIInChI=1S/C22H29NO4/c1-23(22(25)12-8-7-11-17-9-5-4-6-10-17)16-19(24)18-13-14-20(26-2)21(15-18)27-3/h4-6,9-10,13-15,19,24H,7-8,11-12,16H2,1-3H3
InChIKeyFSBCOEPLHDXCIC-UHFFFAOYSA-N
XLogP3.61
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide
CID 110629772
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N,2-dimethyl-3-phenylpropanamide
CID 110629739
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylbenzamide
CID 110291255
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide
CID 110308817
(E)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-3-phenylpent-2-enamide
CID 110308876
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide
CID 110308819
5-(4-aminophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 10089639
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110629749
3-butan-2-yl-1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylurea
CID 110629742
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide
CID 110308820
1-(3,4-dimethoxyphenyl)-4-phenylbutan-1-amine
CID 62606434

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide (CID 110308885) is N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide is COc1ccc(C(O)CN(C)C(=O)CCCCc2ccccc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide?
The InChIKey is FSBCOEPLHDXCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-23(22(25)12-8-7-11-17-9-5-4-6-10-17)16-19(24)18-13-14-20(26-2)21(15-18)27-3/h4-6,9-10,13-15,19,24H,7-8,11-12,16H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide?
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide has a molecular weight of 371.48 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide is sourced from PubChem (CID 110308885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).