4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide

C44H43N3O2 — CID 19438513

IUPAC4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide
SMILESO=C(NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(CCO)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H43N3O2/c48-34-31-41(47-44(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40)42(49)45-32-33-46-43(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37/h1-30,41,46-48H,31-34H2,(H,45,49)
InChIKeyWBNUFFLDTRGZKG-UHFFFAOYSA-N
MW645.85 g/mol
LogP7.02
Rot. Bonds15

About 4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide

4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide (PubChem CID 19438513) has the molecular formula C44H43N3O2 and a molecular weight of 645.85 g/mol. Its IUPAC name is 4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide
PubChem CID19438513
Molecular FormulaC44H43N3O2
Molecular Weight645.85 g/mol
Exact Mass645.34
IUPAC Name4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide
SMILESO=C(NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(CCO)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H43N3O2/c48-34-31-41(47-44(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40)42(49)45-32-33-46-43(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37/h1-30,41,46-48H,31-34H2,(H,45,49)
InChIKeyWBNUFFLDTRGZKG-UHFFFAOYSA-N
XLogP7.02
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.85
LogP ≤ 57.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide
CID 19438547
2-[[(2S)-4-methylsulfanyl-2-(tritylamino)butanoyl]amino]acetic acid
CID 154136658
2-(tritylamino)pentanoic acid
CID 70010724
acetic acid;N'-tritylethane-1,2-diamine
CID 43835039
(2R)-4-methoxy-2-(tritylamino)butanoic acid
CID 51341708
N-ethylethanamine;(2R)-3-methylsulfanyl-2-(tritylamino)propanoic acid
CID 90477349
ditert-butyl (4R)-2-(3-hydroxypropyl)-4-(tritylamino)pentanedioate
CID 90354025
3-bromo-N-tritylbutan-1-amine
CID 57015899
2,3,5,6-tetrafluoro-4-hydroxy-N-[2-(tritylamino)ethyl]benzamide
CID 90426867
1-(4-chlorophenyl)-3-[2-(tritylamino)ethyl]urea
CID 134119794
(2S,4S)-7-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(tritylamino)heptanoic acid
CID 71002744
diethyl (2S)-2-(tritylamino)butanedioate
CID 140997508

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide?
The IUPAC name of 4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide (CID 19438513) is 4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide.
What is the SMILES notation for 4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide?
The canonical SMILES for 4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide is O=C(NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(CCO)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide?
The InChIKey is WBNUFFLDTRGZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43N3O2/c48-34-31-41(47-44(38-25-13-4-14-26-38,39-27-15-5-16-28-39)40-29-17-6-18-30-40)42(49)45-32-33-46-43(35-19-7-1-8-20-35,36-21-9-2-10-22-36)37-23-11-3-12-24-37/h1-30,41,46-48H,31-34H2,(H,45,49).
What are the key properties of 4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide?
4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide has a molecular weight of 645.85 g/mol, XLogP of 7.02, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide is sourced from PubChem (CID 19438513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).