4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide

C27H32N2O3 — CID 21023353

IUPAC4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide
SMILESNCCCC(=O)NC[C@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32N2O3/c28-19-10-17-26(31)29-21-25(30)18-20-32-27(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,25,30H,10,17-21,28H2,(H,29,31)/t25-/m1/s1
InChIKeyBXURGQGSPKGQGK-RUZDIDTESA-N
MW432.56 g/mol
LogP3.60
Rot. Bonds12

About 4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide

4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide (PubChem CID 21023353) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide
PubChem CID21023353
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide
SMILESNCCCC(=O)NC[C@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32N2O3/c28-19-10-17-26(31)29-21-25(30)18-20-32-27(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,25,30H,10,17-21,28H2,(H,29,31)/t25-/m1/s1
InChIKeyBXURGQGSPKGQGK-RUZDIDTESA-N
XLogP3.60
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate
CID 59735285
(2R)-1-amino-4-trityloxybutan-2-ol
CID 69243121
1,5-ditrityloxypentan-3-ol
CID 140507927
benzyl N-[(2S)-2,4-dihydroxybutyl]carbamate;benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate;dichloromethane
CID 158234775
3-hydroxy-5-trityloxypentanal
CID 85379091
1,4-ditrityloxybutan-2-ol
CID 13443283
(3S)-1-trityloxypentan-3-ol
CID 11163798
benzyl 3-(4-aminobutanoylamino)-2-hydroxypropanoate
CID 150423836
(3R)-1-trityloxytetradecan-3-ol
CID 15104977
1-trityloxytetradecan-3-ol
CID 71342983
N-(2-nonoxy-3-trityloxypropyl)tetradecanamide
CID 10941402
N-(2-pentoxy-3-trityloxypropyl)dodecanamide
CID 11093112

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide?
The IUPAC name of 4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide (CID 21023353) is 4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide.
What is the SMILES notation for 4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide?
The canonical SMILES for 4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide is NCCCC(=O)NC[C@H](O)CCOC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide?
The InChIKey is BXURGQGSPKGQGK-RUZDIDTESA-N. The full InChI is InChI=1S/C27H32N2O3/c28-19-10-17-26(31)29-21-25(30)18-20-32-27(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,25,30H,10,17-21,28H2,(H,29,31)/t25-/m1/s1.
What are the key properties of 4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide?
4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide has a molecular weight of 432.56 g/mol, XLogP of 3.60, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide is sourced from PubChem (CID 21023353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).