3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide

C28H42N2O3 — CID 146282335

IUPAC3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide
SMILESCCCCCc1ccc(CNC(=O)CCOc2cc(OC)ccc2CN(CC)CCC)cc1
InChIInChI=1S/C28H42N2O3/c1-5-8-9-10-23-11-13-24(14-12-23)21-29-28(31)17-19-33-27-20-26(32-4)16-15-25(27)22-30(7-3)18-6-2/h11-16,20H,5-10,17-19,21-22H2,1-4H3,(H,29,31)
InChIKeyRCNPNDLAVFZKGZ-UHFFFAOYSA-N
MW454.66 g/mol
LogP5.75
Rot. Bonds16

About 3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide

3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide (PubChem CID 146282335) has the molecular formula C28H42N2O3 and a molecular weight of 454.66 g/mol. Its IUPAC name is 3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide
PubChem CID146282335
Molecular FormulaC28H42N2O3
Molecular Weight454.66 g/mol
Exact Mass454.32
IUPAC Name3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide
SMILESCCCCCc1ccc(CNC(=O)CCOc2cc(OC)ccc2CN(CC)CCC)cc1
InChIInChI=1S/C28H42N2O3/c1-5-8-9-10-23-11-13-24(14-12-23)21-29-28(31)17-19-33-27-20-26(32-4)16-15-25(27)22-30(7-3)18-6-2/h11-16,20H,5-10,17-19,21-22H2,1-4H3,(H,29,31)
InChIKeyRCNPNDLAVFZKGZ-UHFFFAOYSA-N
XLogP5.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 55.75
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

3-[2-[[ethyl(methyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-methylphenyl)methyl]propanamide
CID 161466164
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide
CID 27332548
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
4-[[2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 22681936
N-[[4-[2-(dimethylamino)ethyl]-3-methoxyphenyl]methyl]nonanamide
CID 67659751
4-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]butanamide
CID 110410210
N-[(2-butyl-5-methoxyphenyl)methyl]butanamide
CID 71107303
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
2-chloro-N-[(4-methoxy-2-propoxyphenyl)methyl]acetamide
CID 82109640
2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride
CID 3026080
N-ethyl-3-[2-(ethylaminomethyl)-4-methoxyphenoxy]propanamide
CID 62325462

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide?
The IUPAC name of 3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide (CID 146282335) is 3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide?
The canonical SMILES for 3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide is CCCCCc1ccc(CNC(=O)CCOc2cc(OC)ccc2CN(CC)CCC)cc1.
What is the InChIKey of 3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide?
The InChIKey is RCNPNDLAVFZKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O3/c1-5-8-9-10-23-11-13-24(14-12-23)21-29-28(31)17-19-33-27-20-26(32-4)16-15-25(27)22-30(7-3)18-6-2/h11-16,20H,5-10,17-19,21-22H2,1-4H3,(H,29,31).
What are the key properties of 3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide?
3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide has a molecular weight of 454.66 g/mol, XLogP of 5.75, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[ethyl(propyl)amino]methyl]-5-methoxyphenoxy]-N-[(4-pentylphenyl)methyl]propanamide is sourced from PubChem (CID 146282335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).