ethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide

C24H36N2O2 — CID 144547562

IUPACethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide
SMILESCC.CCC(CCNC(=O)CCc1ccc(O)cc1)c1cccc(CNC)c1
InChIInChI=1S/C22H30N2O2.C2H6/c1-3-19(20-6-4-5-18(15-20)16-23-2)13-14-24-22(26)12-9-17-7-10-21(25)11-8-17;1-2/h4-8,10-11,15,19,23,25H,3,9,12-14,16H2,1-2H3,(H,24,26);1-2H3
InChIKeyVCLZJPREYHGDFX-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.77
Rot. Bonds10

About ethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide

ethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide (PubChem CID 144547562) has the molecular formula C24H36N2O2 and a molecular weight of 384.56 g/mol. Its IUPAC name is ethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide.

Molecular Properties

Compound Nameethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide
PubChem CID144547562
Molecular FormulaC24H36N2O2
Molecular Weight384.56 g/mol
Exact Mass384.28
IUPAC Nameethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide
SMILESCC.CCC(CCNC(=O)CCc1ccc(O)cc1)c1cccc(CNC)c1
InChIInChI=1S/C22H30N2O2.C2H6/c1-3-19(20-6-4-5-18(15-20)16-23-2)13-14-24-22(26)12-9-17-7-10-21(25)11-8-17;1-2/h4-8,10-11,15,19,23,25H,3,9,12-14,16H2,1-2H3,(H,24,26);1-2H3
InChIKeyVCLZJPREYHGDFX-UHFFFAOYSA-N
XLogP4.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-(4-hydroxyphenyl)butan-2-one;N-methyl-1-(3-nonan-4-ylphenyl)methanamine
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N-methyl-3-[3-(methylaminomethyl)phenyl]pentan-1-amine
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3-(4-hydroxyphenyl)-N-(4-methylpentyl)propanamide
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N-(3-amino-3-phenylpropyl)-3-phenylpropanamide
CID 80505663
N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
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N-methyl-3-(3-propan-2-ylphenyl)propanamide
CID 122496353
N-ethyl-3-[4-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]propanamide
CID 173196459
3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
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3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472067
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
N-(3-aminobutyl)-3-(3-bromophenyl)propanamide
CID 119497411

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide?
The IUPAC name of ethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide (CID 144547562) is ethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide.
What is the SMILES notation for ethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide?
The canonical SMILES for ethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide is CC.CCC(CCNC(=O)CCc1ccc(O)cc1)c1cccc(CNC)c1.
What is the InChIKey of ethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide?
The InChIKey is VCLZJPREYHGDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2.C2H6/c1-3-19(20-6-4-5-18(15-20)16-23-2)13-14-24-22(26)12-9-17-7-10-21(25)11-8-17;1-2/h4-8,10-11,15,19,23,25H,3,9,12-14,16H2,1-2H3,(H,24,26);1-2H3.
What are the key properties of ethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide?
ethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide has a molecular weight of 384.56 g/mol, XLogP of 4.77, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-hydroxyphenyl)-N-[3-[3-(methylaminomethyl)phenyl]pentyl]propanamide is sourced from PubChem (CID 144547562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).