4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide

C15H23N3O3 — CID 155707554

IUPAC4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide
SMILESNC(=O)CCCc1cccc(OCC(N)CCC(N)=O)c1
InChIInChI=1S/C15H23N3O3/c16-12(7-8-15(18)20)10-21-13-5-1-3-11(9-13)4-2-6-14(17)19/h1,3,5,9,12H,2,4,6-8,10,16H2,(H2,17,19)(H2,18,20)
InChIKeyKDLDHLXCDAJBED-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.47
Rot. Bonds10

About 4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide

4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide (PubChem CID 155707554) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide.

Molecular Properties

Compound Name4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide
PubChem CID155707554
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide
SMILESNC(=O)CCCc1cccc(OCC(N)CCC(N)=O)c1
InChIInChI=1S/C15H23N3O3/c16-12(7-8-15(18)20)10-21-13-5-1-3-11(9-13)4-2-6-14(17)19/h1,3,5,9,12H,2,4,6-8,10,16H2,(H2,17,19)(H2,18,20)
InChIKeyKDLDHLXCDAJBED-UHFFFAOYSA-N
XLogP0.47
TPSA121.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-amino-5-[3-[2-(methylamino)-2-oxoethyl]phenoxy]pentanamide
CID 155190029
4-(3-pentadecylphenoxy)butanamide
CID 22354511
methyl 5-[3-[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentoxy]phenyl]pentanoate
CID 166012938
4-[3-(hydroxymethyl)phenoxy]butanamide
CID 123197567
4-(3-ethylphenoxy)butanamide
CID 82040637
28-[3-(28-amino-28-oxooctacosyl)phenyl]octacosanamide
CID 139913046
(4S)-5-(3-bromophenoxy)-4-methylpentanamide
CID 167563643
6-[5-(2,5-diamino-5-oxopentoxy)-2-fluorophenyl]-N-methylhexanamide
CID 155706907
ethane;4-[3-(2-methylpropoxy)phenyl]butan-2-one
CID 176935151
1-[3-(methoxymethyl)phenoxy]pentan-2-amine
CID 63984772
(2S)-5-[3-[(2S)-2-hydroxypropoxy]phenyl]-2-propan-2-yloxypentanoic acid
CID 175254611
1-butyl-3-(2-propylpentoxy)benzene
CID 69097315

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide?
The IUPAC name of 4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide (CID 155707554) is 4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide.
What is the SMILES notation for 4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide?
The canonical SMILES for 4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide is NC(=O)CCCc1cccc(OCC(N)CCC(N)=O)c1.
What is the InChIKey of 4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide?
The InChIKey is KDLDHLXCDAJBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-12(7-8-15(18)20)10-21-13-5-1-3-11(9-13)4-2-6-14(17)19/h1,3,5,9,12H,2,4,6-8,10,16H2,(H2,17,19)(H2,18,20).
What are the key properties of 4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide?
4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide has a molecular weight of 293.37 g/mol, XLogP of 0.47, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[3-(4-amino-4-oxobutyl)phenoxy]pentanamide is sourced from PubChem (CID 155707554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).