5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide

C26H28N4O3 — CID 143593017

IUPAC5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
SMILESNCCCCCC(=O)Nc1cc(C(=O)Nc2ccccc2)cc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C26H28N4O3/c27-15-9-3-8-14-24(31)28-23-17-19(25(32)29-21-10-4-1-5-11-21)16-20(18-23)26(33)30-22-12-6-2-7-13-22/h1-2,4-7,10-13,16-18H,3,8-9,14-15,27H2,(H,28,31)(H,29,32)(H,30,33)
InChIKeySRGMJCYYYHPWPE-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.65
Rot. Bonds10

About 5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide

5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide (PubChem CID 143593017) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
PubChem CID143593017
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
SMILESNCCCCCC(=O)Nc1cc(C(=O)Nc2ccccc2)cc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C26H28N4O3/c27-15-9-3-8-14-24(31)28-23-17-19(25(32)29-21-10-4-1-5-11-21)16-20(18-23)26(33)30-22-12-6-2-7-13-22/h1-2,4-7,10-13,16-18H,3,8-9,14-15,27H2,(H,28,31)(H,29,32)(H,30,33)
InChIKeySRGMJCYYYHPWPE-UHFFFAOYSA-N
XLogP4.65
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.65
H-Bond Donors ≤ 54
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-anilinophenyl)heptanamide
CID 119676142
3-(7-aminoheptanoylamino)benzoic acid
CID 61157847
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924
4-(6-aminohexanoylamino)benzamide
CID 24702559
5-(4-aminobutanoylamino)benzene-1,3-dicarboxamide
CID 61273837
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
7-amino-N-(3-bromophenyl)heptanamide;hydrochloride
CID 119670373
7-bromo-N-phenylheptanamide
CID 11266084
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108

Frequently Asked Questions

What is the IUPAC name of 5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide (CID 143593017) is 5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide is NCCCCCC(=O)Nc1cc(C(=O)Nc2ccccc2)cc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
The InChIKey is SRGMJCYYYHPWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c27-15-9-3-8-14-24(31)28-23-17-19(25(32)29-21-10-4-1-5-11-21)16-20(18-23)26(33)30-22-12-6-2-7-13-22/h1-2,4-7,10-13,16-18H,3,8-9,14-15,27H2,(H,28,31)(H,29,32)(H,30,33).
What are the key properties of 5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide?
5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.65, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 143593017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).