N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide

C30H40N6O6 — CID 4926555

IUPACN-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1
InChIInChI=1S/C30H40N6O6/c1-3-5-9-25(37)31-23-17-13-21(14-18-23)29(41)35-33-27(39)11-7-8-12-28(40)34-36-30(42)22-15-19-24(20-16-22)32-26(38)10-6-4-2/h13-20H,3-12H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,42)
InChIKeyBMHAUQFCAQSFJB-UHFFFAOYSA-N
MW580.69 g/mol
LogP3.73
Rot. Bonds15

About N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide

N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide (PubChem CID 4926555) has the molecular formula C30H40N6O6 and a molecular weight of 580.69 g/mol. Its IUPAC name is N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
PubChem CID4926555
Molecular FormulaC30H40N6O6
Molecular Weight580.69 g/mol
Exact Mass580.30
IUPAC NameN-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1
InChIInChI=1S/C30H40N6O6/c1-3-5-9-25(37)31-23-17-13-21(14-18-23)29(41)35-33-27(39)11-7-8-12-28(40)34-36-30(42)22-15-19-24(20-16-22)32-26(38)10-6-4-2/h13-20H,3-12H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,42)
InChIKeyBMHAUQFCAQSFJB-UHFFFAOYSA-N
XLogP3.73
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.69
LogP ≤ 53.73
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide with MolForge

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Related Compounds

N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829
N-[4-[(ethylcarbamothioylamino)carbamoyl]phenyl]pentanamide
CID 4930340
2-methyl-N-[4-[(tetradecanoylamino)carbamoyl]phenyl]propanamide
CID 54792173
4-tert-butyl-N-[4-[(octanoylamino)carbamoyl]phenyl]benzamide
CID 4958813
N-(4-methylphenyl)-4-(pentanoylamino)benzamide
CID 4630697
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4940346
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
N-[[[4-(propanoylamino)benzoyl]amino]carbamothioyl]pentanamide
CID 4925761
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N-[4-[[[2-(2-methylphenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926318

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide?
The IUPAC name of N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide (CID 4926555) is N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2ccc(NC(=O)CCCC)cc2)cc1.
What is the InChIKey of N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide?
The InChIKey is BMHAUQFCAQSFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O6/c1-3-5-9-25(37)31-23-17-13-21(14-18-23)29(41)35-33-27(39)11-7-8-12-28(40)34-36-30(42)22-15-19-24(20-16-22)32-26(38)10-6-4-2/h13-20H,3-12H2,1-2H3,(H,31,37)(H,32,38)(H,33,39)(H,34,40)(H,35,41)(H,36,42).
What are the key properties of N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide?
N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide has a molecular weight of 580.69 g/mol, XLogP of 3.73, 15 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide is sourced from PubChem (CID 4926555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).