7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide

C22H36N4O2 — CID 119871121

IUPAC7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1
InChIInChI=1S/C22H36N4O2/c23-15-7-3-2-6-10-21(27)24-19-11-13-20(14-12-19)25-22(28)18-26-16-8-4-1-5-9-17-26/h11-14H,1-10,15-18,23H2,(H,24,27)(H,25,28)
InChIKeyHAMMXIRPCVYGNU-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.74
Rot. Bonds10

About 7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide

7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide (PubChem CID 119871121) has the molecular formula C22H36N4O2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide
PubChem CID119871121
Molecular FormulaC22H36N4O2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1
InChIInChI=1S/C22H36N4O2/c23-15-7-3-2-6-10-21(27)24-19-11-13-20(14-12-19)25-22(28)18-26-16-8-4-1-5-9-17-26/h11-14H,1-10,15-18,23H2,(H,24,27)(H,25,28)
InChIKeyHAMMXIRPCVYGNU-UHFFFAOYSA-N
XLogP3.74
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]heptanamide
CID 119862086
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
N-[4-(6-aminohexanoylamino)phenyl]cyclopropanecarboxamide
CID 61254205
6-amino-N-(6-piperidin-1-yl-3-pyridinyl)hexanamide
CID 43704579
7-amino-N-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]heptanamide
CID 119883320
2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 732235
7-amino-N-[3-(azepan-1-yl)phenyl]heptanamide
CID 119892117
3-amino-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 119840811
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide?
The IUPAC name of 7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide (CID 119871121) is 7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide is NCCCCCCC(=O)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1.
What is the InChIKey of 7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide?
The InChIKey is HAMMXIRPCVYGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O2/c23-15-7-3-2-6-10-21(27)24-19-11-13-20(14-12-19)25-22(28)18-26-16-8-4-1-5-9-17-26/h11-14H,1-10,15-18,23H2,(H,24,27)(H,25,28).
What are the key properties of 7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide?
7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide has a molecular weight of 388.56 g/mol, XLogP of 3.74, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]heptanamide is sourced from PubChem (CID 119871121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).