2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide

C25H36N4O — CID 143988274

IUPAC2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide
SMILESC=C(NC(CCc1ccccc1)NC(=O)C(N)CCCN)c1ccc(C(C)C)cc1
InChIInChI=1S/C25H36N4O/c1-18(2)21-12-14-22(15-13-21)19(3)28-24(16-11-20-8-5-4-6-9-20)29-25(30)23(27)10-7-17-26/h4-6,8-9,12-15,18,23-24,28H,3,7,10-11,16-17,26-27H2,1-2H3,(H,29,30)
InChIKeyGGWYIGQQJFNJFE-UHFFFAOYSA-N
MW408.59 g/mol
LogP3.51
Rot. Bonds12

About 2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide

2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide (PubChem CID 143988274) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is 2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide.

Molecular Properties

Compound Name2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide
PubChem CID143988274
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC Name2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide
SMILESC=C(NC(CCc1ccccc1)NC(=O)C(N)CCCN)c1ccc(C(C)C)cc1
InChIInChI=1S/C25H36N4O/c1-18(2)21-12-14-22(15-13-21)19(3)28-24(16-11-20-8-5-4-6-9-20)29-25(30)23(27)10-7-17-26/h4-6,8-9,12-15,18,23-24,28H,3,7,10-11,16-17,26-27H2,1-2H3,(H,29,30)
InChIKeyGGWYIGQQJFNJFE-UHFFFAOYSA-N
XLogP3.51
TPSA93.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[2,8-diamino-5-(2-aminoethyl)-4-oxooct-5-enoyl]amino]-3-phenylpropyl]-4-propan-2-ylbenzamide
CID 91278523
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide;dihydrochloride
CID 76973395
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
2,5-diaminopentanoic acid;2,5-diamino-N-(1-phenylpropan-2-yl)pentanamide;1-phenylpropan-2-amine
CID 159256589
(2R)-2-[(2-amino-4-phenylbutanoyl)amino]propanoic acid
CID 104984248
(2R)-2,6-diamino-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]hexanamide
CID 131709054
benzyl N-(2,5-diaminopentanoyl)carbamate
CID 67793567
(2S)-2,6-diamino-N-(1-phenylpropan-2-yl)hexanamide;methanesulfonic acid
CID 169442795
3-[[(2S)-2-amino-4-phenylbutanoyl]amino]butanoic acid
CID 104984129
(2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide
CID 57398373

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide?
The IUPAC name of 2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide (CID 143988274) is 2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide.
What is the SMILES notation for 2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide?
The canonical SMILES for 2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide is C=C(NC(CCc1ccccc1)NC(=O)C(N)CCCN)c1ccc(C(C)C)cc1.
What is the InChIKey of 2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide?
The InChIKey is GGWYIGQQJFNJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c1-18(2)21-12-14-22(15-13-21)19(3)28-24(16-11-20-8-5-4-6-9-20)29-25(30)23(27)10-7-17-26/h4-6,8-9,12-15,18,23-24,28H,3,7,10-11,16-17,26-27H2,1-2H3,(H,29,30).
What are the key properties of 2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide?
2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide has a molecular weight of 408.59 g/mol, XLogP of 3.51, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-N-[3-phenyl-1-[1-(4-propan-2-ylphenyl)ethenylamino]propyl]pentanamide is sourced from PubChem (CID 143988274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).