(4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide

C29H36N2O2 — CID 143766390

IUPAC(4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide
SMILESCN[C@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)CCC(=O)NC(C)C
InChIInChI=1S/C29H36N2O2/c1-23(2)31-28(32)20-19-27(30-3)21-22-33-29(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,23,27,30H,19-22H2,1-3H3,(H,31,32)/t27-/m0/s1
InChIKeyYVOQWJZCPZMRSG-MHZLTWQESA-N
MW444.62 g/mol
LogP5.28
Rot. Bonds12

About (4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide

(4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide (PubChem CID 143766390) has the molecular formula C29H36N2O2 and a molecular weight of 444.62 g/mol. Its IUPAC name is (4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide.

Molecular Properties

Compound Name(4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide
PubChem CID143766390
Molecular FormulaC29H36N2O2
Molecular Weight444.62 g/mol
Exact Mass444.28
IUPAC Name(4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide
SMILESCN[C@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)CCC(=O)NC(C)C
InChIInChI=1S/C29H36N2O2/c1-23(2)31-28(32)20-19-27(30-3)21-22-33-29(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,23,27,30H,19-22H2,1-3H3,(H,31,32)/t27-/m0/s1
InChIKeyYVOQWJZCPZMRSG-MHZLTWQESA-N
XLogP5.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-3-sulfanyl-2-(5-trityloxypentanoylamino)propanoate
CID 140966966
1,5-ditrityloxypentan-3-ol
CID 140507927
(3S)-1-trityloxypentan-3-ol
CID 11163798
methyl 5-trityloxypentanoate
CID 171841896
4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 119201158
4-amino-N-[(2R)-2-hydroxy-4-trityloxybutyl]butanamide
CID 21023353
benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate
CID 13477585
1,4-ditrityloxybutan-2-ol
CID 13443283
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
(2R)-1-amino-4-trityloxybutan-2-ol
CID 69243121
[(3R,4S)-4-hydroxy-6-trityloxyhexan-3-yl] acetate
CID 10971817
3-hydroxy-5-trityloxypentanal
CID 85379091

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide?
The IUPAC name of (4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide (CID 143766390) is (4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide.
What is the SMILES notation for (4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide?
The canonical SMILES for (4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide is CN[C@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)CCC(=O)NC(C)C.
What is the InChIKey of (4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide?
The InChIKey is YVOQWJZCPZMRSG-MHZLTWQESA-N. The full InChI is InChI=1S/C29H36N2O2/c1-23(2)31-28(32)20-19-27(30-3)21-22-33-29(24-13-7-4-8-14-24,25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,23,27,30H,19-22H2,1-3H3,(H,31,32)/t27-/m0/s1.
What are the key properties of (4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide?
(4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide has a molecular weight of 444.62 g/mol, XLogP of 5.28, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methylamino)-N-propan-2-yl-6-trityloxyhexanamide is sourced from PubChem (CID 143766390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).