N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide

C25H29N3O2 — CID 19438547

IUPACN-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide
SMILESNCCNC(=O)C(CCO)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N3O2/c26-17-18-27-24(30)23(16-19-29)28-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,28-29H,16-19,26H2,(H,27,30)
InChIKeyODYLNTAUBXARMJ-UHFFFAOYSA-N
MW403.53 g/mol
LogP2.39
Rot. Bonds10

About N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide

N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide (PubChem CID 19438547) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide
PubChem CID19438547
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide
SMILESNCCNC(=O)C(CCO)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29N3O2/c26-17-18-27-24(30)23(16-19-29)28-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,28-29H,16-19,26H2,(H,27,30)
InChIKeyODYLNTAUBXARMJ-UHFFFAOYSA-N
XLogP2.39
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-2-(tritylamino)-N-[2-(tritylamino)ethyl]butanamide
CID 19438513
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
ditert-butyl (4R)-2-(3-hydroxypropyl)-4-(tritylamino)pentanedioate
CID 90354025
(2R)-4-methoxy-2-(tritylamino)butanoic acid
CID 51341708
(2S,4S)-7-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonyl]-2-(tritylamino)heptanoic acid
CID 71002744
N-ethylethanamine;(2R)-3-methylsulfanyl-2-(tritylamino)propanoic acid
CID 90477349
tert-butyl (2S)-3-anilino-2-(tritylamino)propanoate
CID 68992813
methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate
CID 171833084
N-(2-aminoethyl)-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 119384601
ditert-butyl 2-(3-(19F)fluoropropyl)-4-(tritylamino)pentanedioate
CID 71468936

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide?
The IUPAC name of N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide (CID 19438547) is N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide.
What is the SMILES notation for N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide?
The canonical SMILES for N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide is NCCNC(=O)C(CCO)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide?
The InChIKey is ODYLNTAUBXARMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c26-17-18-27-24(30)23(16-19-29)28-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,28-29H,16-19,26H2,(H,27,30).
What are the key properties of N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide?
N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide has a molecular weight of 403.53 g/mol, XLogP of 2.39, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-hydroxy-2-(tritylamino)butanamide is sourced from PubChem (CID 19438547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).