N-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide

C24H42N4O5 — CID 68623706

IUPACN-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide
SMILESCOCCCCOc1ccccc1C(=O)NCC(CC(N)C(O)CNC(=O)N(C)C)C(C)C
InChIInChI=1S/C24H42N4O5/c1-17(2)18(14-20(25)21(29)16-27-24(31)28(3)4)15-26-23(30)19-10-6-7-11-22(19)33-13-9-8-12-32-5/h6-7,10-11,17-18,20-21,29H,8-9,12-16,25H2,1-5H3,(H,26,30)(H,27,31)
InChIKeyHJSXQDVHWJNAIW-UHFFFAOYSA-N
MW466.62 g/mol
LogP1.84
Rot. Bonds15

About N-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide

N-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide (PubChem CID 68623706) has the molecular formula C24H42N4O5 and a molecular weight of 466.62 g/mol. Its IUPAC name is N-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide.

Molecular Properties

Compound NameN-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide
PubChem CID68623706
Molecular FormulaC24H42N4O5
Molecular Weight466.62 g/mol
Exact Mass466.32
IUPAC NameN-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide
SMILESCOCCCCOc1ccccc1C(=O)NCC(CC(N)C(O)CNC(=O)N(C)C)C(C)C
InChIInChI=1S/C24H42N4O5/c1-17(2)18(14-20(25)21(29)16-27-24(31)28(3)4)15-26-23(30)19-10-6-7-11-22(19)33-13-9-8-12-32-5/h6-7,10-11,17-18,20-21,29H,8-9,12-16,25H2,1-5H3,(H,26,30)(H,27,31)
InChIKeyHJSXQDVHWJNAIW-UHFFFAOYSA-N
XLogP1.84
TPSA126.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.62
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S,4S,5S)-4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide;hydrochloride
CID 68623087
N-[(2S,4S,5S)-4-amino-6-benzamido-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide
CID 68622656
N-[(2S,4S,5S)-4-amino-6-(butan-2-ylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide
CID 68622900
N-[4-amino-6-[cyclopropyl(methyl)amino]-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 68621729
N-[4-amino-5-hydroxy-2-propan-2-yl-6-[[3,3,3-trifluoro-2-methoxy-2-(trifluoromethyl)propanoyl]amino]hexyl]-2-(4-methoxybutoxy)benzamide
CID 87519412
N-[4-amino-5-hydroxy-2-propan-2-yl-6-(propan-2-ylsulfonylamino)hexyl]-2-(3-methoxypropoxy)benzamide
CID 68623318
N-[(2S,4S,5S)-4-amino-6-[[2,2-dimethyl-4-(methylamino)butanoyl]amino]-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide
CID 68624237
N-[4-amino-6-(2,2-dimethylhexanoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide
CID 68623767
N-[(2S,4S,5S)-4-amino-6-[(2,2-difluoro-2-phenylacetyl)amino]-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide;hydrochloride
CID 68623780
N-[4-amino-6-[[2,2-dimethyl-4-(methylamino)butanoyl]amino]-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide
CID 68624233
N-[(2S,4S,5S)-4-amino-6-[[(2S)-hexan-2-yl]amino]-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide;dihydrochloride
CID 68622634
N-[4-amino-5-hydroxy-2-propan-2-yl-6-[(3,3,3-trifluoro-2-methoxy-2-methylpropanoyl)amino]hexyl]-2-(4-methoxybutoxy)benzamide;hydrochloride
CID 68622903

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide?
The IUPAC name of N-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide (CID 68623706) is N-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide.
What is the SMILES notation for N-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide?
The canonical SMILES for N-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide is COCCCCOc1ccccc1C(=O)NCC(CC(N)C(O)CNC(=O)N(C)C)C(C)C.
What is the InChIKey of N-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide?
The InChIKey is HJSXQDVHWJNAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N4O5/c1-17(2)18(14-20(25)21(29)16-27-24(31)28(3)4)15-26-23(30)19-10-6-7-11-22(19)33-13-9-8-12-32-5/h6-7,10-11,17-18,20-21,29H,8-9,12-16,25H2,1-5H3,(H,26,30)(H,27,31).
What are the key properties of N-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide?
N-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide has a molecular weight of 466.62 g/mol, XLogP of 1.84, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-(dimethylcarbamoylamino)-5-hydroxy-2-propan-2-ylhexyl]-2-(4-methoxybutoxy)benzamide is sourced from PubChem (CID 68623706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).