N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide

C21H26N2O3 — CID 86866265

IUPACN-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide
SMILESCC(CCc1ccccc1)CC(=O)Nc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-16(7-8-17-5-3-2-4-6-17)15-21(25)23-18-9-11-19(12-10-18)26-14-13-20(22)24/h2-6,9-12,16H,7-8,13-15H2,1H3,(H2,22,24)(H,23,25)
InChIKeyAWPFXVWYFFNWEH-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.54
Rot. Bonds10

About N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide

N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide (PubChem CID 86866265) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide
PubChem CID86866265
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide
SMILESCC(CCc1ccccc1)CC(=O)Nc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C21H26N2O3/c1-16(7-8-17-5-3-2-4-6-17)15-21(25)23-18-9-11-19(12-10-18)26-14-13-20(22)24/h2-6,9-12,16H,7-8,13-15H2,1H3,(H2,22,24)(H,23,25)
InChIKeyAWPFXVWYFFNWEH-UHFFFAOYSA-N
XLogP3.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]butanamide;hydrochloride
CID 119733597
3-[4-[[2-(2-benzylphenoxy)acetyl]amino]phenoxy]propanamide
CID 55841009
3-methyl-5-phenyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 175774255
3-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide
CID 43700453
(2R)-2-amino-N-[4-(3-amino-3-oxopropoxy)phenyl]propanamide;hydrochloride
CID 119294951
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014328
3-methyl-N-[4-[[2-[4-(2-phenylethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54823706
3-phenyl-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066904
3-methyl-5-phenylpentanamide
CID 66761020
N'-(4-phenylbutan-2-yl)-N-(4-phenylmethoxyphenyl)butanediamide
CID 3886126
N-[4-(3-amino-3-oxopropoxy)phenyl]-2-bromo-3-methylbutanamide
CID 43696967
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide?
The IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide (CID 86866265) is N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide.
What is the SMILES notation for N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide?
The canonical SMILES for N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide is CC(CCc1ccccc1)CC(=O)Nc1ccc(OCCC(N)=O)cc1.
What is the InChIKey of N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide?
The InChIKey is AWPFXVWYFFNWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(7-8-17-5-3-2-4-6-17)15-21(25)23-18-9-11-19(12-10-18)26-14-13-20(22)24/h2-6,9-12,16H,7-8,13-15H2,1H3,(H2,22,24)(H,23,25).
What are the key properties of N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide?
N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide has a molecular weight of 354.45 g/mol, XLogP of 3.54, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropoxy)phenyl]-3-methyl-5-phenylpentanamide is sourced from PubChem (CID 86866265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).