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

C27H36N4O4 — CID 17188809

IUPACN,N'-bis[3-(propanoylamino)phenyl]nonanediamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCCCCCCC(=O)Nc2cccc(NC(=O)CC)c2)c1
InChIInChI=1S/C27H36N4O4/c1-3-24(32)28-20-12-10-14-22(18-20)30-26(34)16-8-6-5-7-9-17-27(35)31-23-15-11-13-21(19-23)29-25(33)4-2/h10-15,18-19H,3-9,16-17H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35)
InChIKeyXJMIYUFXWDFOJT-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.69
Rot. Bonds14

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

N,N'-bis[3-(propanoylamino)phenyl]nonanediamide (PubChem CID 17188809) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is N,N'-bis[3-(propanoylamino)phenyl]nonanediamide.

Molecular Properties

Compound NameN,N'-bis[3-(propanoylamino)phenyl]nonanediamide
PubChem CID17188809
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC NameN,N'-bis[3-(propanoylamino)phenyl]nonanediamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCCCCCCC(=O)Nc2cccc(NC(=O)CC)c2)c1
InChIInChI=1S/C27H36N4O4/c1-3-24(32)28-20-12-10-14-22(18-20)30-26(34)16-8-6-5-7-9-17-27(35)31-23-15-11-13-21(19-23)29-25(33)4-2/h10-15,18-19H,3-9,16-17H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35)
InChIKeyXJMIYUFXWDFOJT-UHFFFAOYSA-N
XLogP5.69
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.69
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

3-chloro-N-[3-(propanoylamino)phenyl]propanamide
CID 61251232
N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285
N-(3-hydroxyphenyl)nonadecanamide
CID 19039287
N-[3-[(2-bromoacetyl)amino]phenyl]hexanamide
CID 46736711
N,N'-bis[3-[(2-phenylacetyl)amino]phenyl]nonanediamide
CID 17235933
N-(3-iodophenyl)octanamide
CID 55026619
N-(3-sulfanylphenyl)heptanamide
CID 173451208
N-(3-bromophenyl)heptanamide
CID 4596383
N-[3-(octylamino)phenyl]propanamide
CID 43130255
N-(3-ethylphenyl)decanamide
CID 4053743
N-[3-(butanoylamino)phenyl]-4-chlorobutanamide
CID 17187674
3-(heptanoylamino)benzamide
CID 54789184

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(propanoylamino)phenyl]nonanediamide?
The IUPAC name of N,N'-bis[3-(propanoylamino)phenyl]nonanediamide (CID 17188809) is N,N'-bis[3-(propanoylamino)phenyl]nonanediamide.
What is the SMILES notation for N,N'-bis[3-(propanoylamino)phenyl]nonanediamide?
The canonical SMILES for N,N'-bis[3-(propanoylamino)phenyl]nonanediamide is CCC(=O)Nc1cccc(NC(=O)CCCCCCCC(=O)Nc2cccc(NC(=O)CC)c2)c1.
What is the InChIKey of N,N'-bis[3-(propanoylamino)phenyl]nonanediamide?
The InChIKey is XJMIYUFXWDFOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-3-24(32)28-20-12-10-14-22(18-20)30-26(34)16-8-6-5-7-9-17-27(35)31-23-15-11-13-21(19-23)29-25(33)4-2/h10-15,18-19H,3-9,16-17H2,1-2H3,(H,28,32)(H,29,33)(H,30,34)(H,31,35).
What are the key properties of N,N'-bis[3-(propanoylamino)phenyl]nonanediamide?
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide has a molecular weight of 480.61 g/mol, XLogP of 5.69, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(propanoylamino)phenyl]nonanediamide is sourced from PubChem (CID 17188809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).