5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide

C15H23N3O3 — CID 82849580

IUPAC5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C15H23N3O3/c1-11(16)5-4-8-15(20)18-12-6-2-3-7-13(12)21-10-9-14(17)19/h2-3,6-7,11H,4-5,8-10,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyDGNYRWANZSCTQA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.40
Rot. Bonds9

About 5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide

5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide (PubChem CID 82849580) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide.

Molecular Properties

Compound Name5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
PubChem CID82849580
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide
SMILESCC(N)CCCC(=O)Nc1ccccc1OCCC(N)=O
InChIInChI=1S/C15H23N3O3/c1-11(16)5-4-8-15(20)18-12-6-2-3-7-13(12)21-10-9-14(17)19/h2-3,6-7,11H,4-5,8-10,16H2,1H3,(H2,17,19)(H,18,20)
InChIKeyDGNYRWANZSCTQA-UHFFFAOYSA-N
XLogP1.40
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119733604
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
CID 62831978
(2S,3S)-2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylpentanamide
CID 61178634
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
5-amino-N-[2-(dimethylamino)phenyl]hexanamide
CID 82847991
5-amino-N-(2-iodophenyl)hexanamide
CID 82848467
5-amino-N-(2-bromophenyl)hexanamide
CID 82848124
4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride
CID 120563816
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide?
The IUPAC name of 5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide (CID 82849580) is 5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide.
What is the SMILES notation for 5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide?
The canonical SMILES for 5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide is CC(N)CCCC(=O)Nc1ccccc1OCCC(N)=O.
What is the InChIKey of 5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide?
The InChIKey is DGNYRWANZSCTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(16)5-4-8-15(20)18-12-6-2-3-7-13(12)21-10-9-14(17)19/h2-3,6-7,11H,4-5,8-10,16H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of 5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide?
5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide has a molecular weight of 293.37 g/mol, XLogP of 1.40, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]hexanamide is sourced from PubChem (CID 82849580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).