N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide

C26H36N2O2 — CID 7406180

IUPACN,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CCCCC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C26H36N2O2/c1-21(17-19-23-11-5-3-6-12-23)27-25(29)15-9-10-16-26(30)28-22(2)18-20-24-13-7-4-8-14-24/h3-8,11-14,21-22H,9-10,15-20H2,1-2H3,(H,27,29)(H,28,30)/t21-,22-/m1/s1
InChIKeyYNMNRUWMCQZSNC-FGZHOGPDSA-N
MW408.59 g/mol
LogP4.82
Rot. Bonds13

About N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide

N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide (PubChem CID 7406180) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide.

Molecular Properties

Compound NameN,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
PubChem CID7406180
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
SMILESC[C@H](CCc1ccccc1)NC(=O)CCCCC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C26H36N2O2/c1-21(17-19-23-11-5-3-6-12-23)27-25(29)15-9-10-16-26(30)28-22(2)18-20-24-13-7-4-8-14-24/h3-8,11-14,21-22H,9-10,15-20H2,1-2H3,(H,27,29)(H,28,30)/t21-,22-/m1/s1
InChIKeyYNMNRUWMCQZSNC-FGZHOGPDSA-N
XLogP4.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide
CID 25172177
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
N-(4-phenylbutan-2-yl)-2-sulfanylacetamide
CID 60650069
3-(4-fluorophenyl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 94870735
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 95901327
4-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]benzoic acid
CID 119179231
N-pent-4-yn-2-yl-4-phenylbutanamide
CID 115661905
3-ethoxy-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 7372940

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide?
The IUPAC name of N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide (CID 7406180) is N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide.
What is the SMILES notation for N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide?
The canonical SMILES for N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide is C[C@H](CCc1ccccc1)NC(=O)CCCCC(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide?
The InChIKey is YNMNRUWMCQZSNC-FGZHOGPDSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-21(17-19-23-11-5-3-6-12-23)27-25(29)15-9-10-16-26(30)28-22(2)18-20-24-13-7-4-8-14-24/h3-8,11-14,21-22H,9-10,15-20H2,1-2H3,(H,27,29)(H,28,30)/t21-,22-/m1/s1.
What are the key properties of N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide?
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide has a molecular weight of 408.59 g/mol, XLogP of 4.82, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide is sourced from PubChem (CID 7406180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).