N,N'-bis(4-benzamidophenyl)hexanediamide

C32H30N4O4 — CID 17235924

IUPACN,N'-bis(4-benzamidophenyl)hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C32H30N4O4/c37-29(33-25-15-19-27(20-16-25)35-31(39)23-9-3-1-4-10-23)13-7-8-14-30(38)34-26-17-21-28(22-18-26)36-32(40)24-11-5-2-6-12-24/h1-6,9-12,15-22H,7-8,13-14H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
InChIKeyYERCQKSEFVVXTK-UHFFFAOYSA-N
MW534.62 g/mol
LogP6.33
Rot. Bonds11

About N,N'-bis(4-benzamidophenyl)hexanediamide

N,N'-bis(4-benzamidophenyl)hexanediamide (PubChem CID 17235924) has the molecular formula C32H30N4O4 and a molecular weight of 534.62 g/mol. Its IUPAC name is N,N'-bis(4-benzamidophenyl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(4-benzamidophenyl)hexanediamide
PubChem CID17235924
Molecular FormulaC32H30N4O4
Molecular Weight534.62 g/mol
Exact Mass534.23
IUPAC NameN,N'-bis(4-benzamidophenyl)hexanediamide
SMILESO=C(CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C32H30N4O4/c37-29(33-25-15-19-27(20-16-25)35-31(39)23-9-3-1-4-10-23)13-7-8-14-30(38)34-26-17-21-28(22-18-26)36-32(40)24-11-5-2-6-12-24/h1-6,9-12,15-22H,7-8,13-14H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40)
InChIKeyYERCQKSEFVVXTK-UHFFFAOYSA-N
XLogP6.33
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 56.33
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

N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
(4-benzamidophenyl)carbamic acid
CID 18543096
7-bromo-N-phenylheptanamide
CID 11266084
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]pentanediamide
CID 17235324
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
5-(6-aminohexanoylamino)-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 143593017
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
4-benzamido-N-ethylbenzamide
CID 17153265
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-benzamidophenyl)hexanediamide?
The IUPAC name of N,N'-bis(4-benzamidophenyl)hexanediamide (CID 17235924) is N,N'-bis(4-benzamidophenyl)hexanediamide.
What is the SMILES notation for N,N'-bis(4-benzamidophenyl)hexanediamide?
The canonical SMILES for N,N'-bis(4-benzamidophenyl)hexanediamide is O=C(CCCCC(=O)Nc1ccc(NC(=O)c2ccccc2)cc1)Nc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N,N'-bis(4-benzamidophenyl)hexanediamide?
The InChIKey is YERCQKSEFVVXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O4/c37-29(33-25-15-19-27(20-16-25)35-31(39)23-9-3-1-4-10-23)13-7-8-14-30(38)34-26-17-21-28(22-18-26)36-32(40)24-11-5-2-6-12-24/h1-6,9-12,15-22H,7-8,13-14H2,(H,33,37)(H,34,38)(H,35,39)(H,36,40).
What are the key properties of N,N'-bis(4-benzamidophenyl)hexanediamide?
N,N'-bis(4-benzamidophenyl)hexanediamide has a molecular weight of 534.62 g/mol, XLogP of 6.33, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-benzamidophenyl)hexanediamide is sourced from PubChem (CID 17235924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).