N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide

C37H40N4O4 — CID 43887216

IUPACN,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C37H40N4O4/c42-34(40-32-20-12-18-30(24-32)36(44)38-26-28-14-6-4-7-15-28)22-10-2-1-3-11-23-35(43)41-33-21-13-19-31(25-33)37(45)39-27-29-16-8-5-9-17-29/h4-9,12-21,24-25H,1-3,10-11,22-23,26-27H2,(H,38,44)(H,39,45)(H,40,42)(H,41,43)
InChIKeyRRZKZQTZDNDZIB-UHFFFAOYSA-N
MW604.75 g/mol
LogP6.85
Rot. Bonds16

About N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide

N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide (PubChem CID 43887216) has the molecular formula C37H40N4O4 and a molecular weight of 604.75 g/mol. Its IUPAC name is N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide
PubChem CID43887216
Molecular FormulaC37H40N4O4
Molecular Weight604.75 g/mol
Exact Mass604.30
IUPAC NameN,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)Nc1cccc(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C37H40N4O4/c42-34(40-32-20-12-18-30(24-32)36(44)38-26-28-14-6-4-7-15-28)22-10-2-1-3-11-23-35(43)41-33-21-13-19-31(25-33)37(45)39-27-29-16-8-5-9-17-29/h4-9,12-21,24-25H,1-3,10-11,22-23,26-27H2,(H,38,44)(H,39,45)(H,40,42)(H,41,43)
InChIKeyRRZKZQTZDNDZIB-UHFFFAOYSA-N
XLogP6.85
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.75
LogP ≤ 56.85
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

methyl 4-[3-(benzylcarbamoyl)anilino]-4-oxobutanoate
CID 28638820
N-benzyl-3-(pentanoylcarbamothioylamino)benzamide
CID 28639041
N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
N-ethyl-3-(3-phenylpropanoylamino)benzamide
CID 17230644
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
N-benzyl-3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844588
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
N-benzyl-3-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28638866
N-benzyl-3-(2-phenylethylcarbamothioylamino)benzamide
CID 17023803
N-[3-(benzylcarbamoyl)phenyl]-2-iodobenzamide
CID 28638781
N,N'-bis[3-(1-phenylethylcarbamoyl)phenyl]nonanediamide
CID 43878143
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide?
The IUPAC name of N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide (CID 43887216) is N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide.
What is the SMILES notation for N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide?
The canonical SMILES for N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide is O=C(CCCCCCCC(=O)Nc1cccc(C(=O)NCc2ccccc2)c1)Nc1cccc(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide?
The InChIKey is RRZKZQTZDNDZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N4O4/c42-34(40-32-20-12-18-30(24-32)36(44)38-26-28-14-6-4-7-15-28)22-10-2-1-3-11-23-35(43)41-33-21-13-19-31(25-33)37(45)39-27-29-16-8-5-9-17-29/h4-9,12-21,24-25H,1-3,10-11,22-23,26-27H2,(H,38,44)(H,39,45)(H,40,42)(H,41,43).
What are the key properties of N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide?
N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide has a molecular weight of 604.75 g/mol, XLogP of 6.85, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide is sourced from PubChem (CID 43887216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).