N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide

C37H40N4O4 — CID 17235933

IUPACN,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1)Nc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C37H40N4O4/c42-34(38-30-18-12-20-32(26-30)40-36(44)24-28-14-6-4-7-15-28)22-10-2-1-3-11-23-35(43)39-31-19-13-21-33(27-31)41-37(45)25-29-16-8-5-9-17-29/h4-9,12-21,26-27H,1-3,10-11,22-25H2,(H,38,42)(H,39,43)(H,40,44)(H,41,45)
InChIKeyNPUVUUXQOKBXFT-UHFFFAOYSA-N
MW604.75 g/mol
LogP7.36
Rot. Bonds16

About N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide

N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide (PubChem CID 17235933) has the molecular formula C37H40N4O4 and a molecular weight of 604.75 g/mol. Its IUPAC name is N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
PubChem CID17235933
Molecular FormulaC37H40N4O4
Molecular Weight604.75 g/mol
Exact Mass604.30
IUPAC NameN,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
SMILESO=C(CCCCCCCC(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1)Nc1cccc(NC(=O)Cc2ccccc2)c1
InChIInChI=1S/C37H40N4O4/c42-34(38-30-18-12-20-32(26-30)40-36(44)24-28-14-6-4-7-15-28)22-10-2-1-3-11-23-35(43)39-31-19-13-21-33(27-31)41-37(45)25-29-16-8-5-9-17-29/h4-9,12-21,26-27H,1-3,10-11,22-25H2,(H,38,42)(H,39,43)(H,40,44)(H,41,45)
InChIKeyNPUVUUXQOKBXFT-UHFFFAOYSA-N
XLogP7.36
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 ≤ 57.36
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

4-hydroxy-N-[3-[(2-phenylacetyl)amino]phenyl]butanamide
CID 161300490
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenylacetamide
CID 46736705
2-phenyl-N-[3-(phenylcarbamothioylamino)phenyl]acetamide
CID 17235513
5-oxo-5-[3-(3-phenylpropanoylamino)anilino]pentanoic acid
CID 17222888
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285
3-[3-[(2-phenylacetyl)amino]phenyl]propanoic acid
CID 28759682
N,N'-bis[3-(benzylcarbamoyl)phenyl]nonanediamide
CID 43887216
2-[3-(hexanoylamino)phenyl]acetic acid
CID 65345952
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
N-(3-ethylphenyl)decanamide
CID 4053743

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide?
The IUPAC name of N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide (CID 17235933) is N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide.
What is the SMILES notation for N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide?
The canonical SMILES for N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide is O=C(CCCCCCCC(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1)Nc1cccc(NC(=O)Cc2ccccc2)c1.
What is the InChIKey of N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide?
The InChIKey is NPUVUUXQOKBXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N4O4/c42-34(38-30-18-12-20-32(26-30)40-36(44)24-28-14-6-4-7-15-28)22-10-2-1-3-11-23-35(43)39-31-19-13-21-33(27-31)41-37(45)25-29-16-8-5-9-17-29/h4-9,12-21,26-27H,1-3,10-11,22-25H2,(H,38,42)(H,39,43)(H,40,44)(H,41,45).
What are the key properties of N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide?
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide has a molecular weight of 604.75 g/mol, XLogP of 7.36, 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-[(2-phenylacetyl)amino]phenyl]nonanediamide is sourced from PubChem (CID 17235933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).