(2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid

C26H31NO3Si — CID 160854922

IUPAC(2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid
SMILESCCCCC(c1ccccc1)[C@](C(=O)O)(c1ccc(-c2ccccc2)cc1)N(C)O[SiH3]
InChIInChI=1S/C26H31NO3Si/c1-3-4-15-24(22-13-9-6-10-14-22)26(25(28)29,27(2)30-31)23-18-16-21(17-19-23)20-11-7-5-8-12-20/h5-14,16-19,24H,3-4,15H2,1-2,31H3,(H,28,29)/t24?,26-/m0/s1
InChIKeySJSVSSXOQKRMHM-JKGBFCRXSA-N
MW433.62 g/mol
LogP4.75
Rot. Bonds10

About (2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid

(2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid (PubChem CID 160854922) has the molecular formula C26H31NO3Si and a molecular weight of 433.62 g/mol. Its IUPAC name is (2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid.

Molecular Properties

Compound Name(2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid
PubChem CID160854922
Molecular FormulaC26H31NO3Si
Molecular Weight433.62 g/mol
Exact Mass433.21
IUPAC Name(2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid
SMILESCCCCC(c1ccccc1)[C@](C(=O)O)(c1ccc(-c2ccccc2)cc1)N(C)O[SiH3]
InChIInChI=1S/C26H31NO3Si/c1-3-4-15-24(22-13-9-6-10-14-22)26(25(28)29,27(2)30-31)23-18-16-21(17-19-23)20-11-7-5-8-12-20/h5-14,16-19,24H,3-4,15H2,1-2,31H3,(H,28,29)/t24?,26-/m0/s1
InChIKeySJSVSSXOQKRMHM-JKGBFCRXSA-N
XLogP4.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,1,2-triphenylhexoxy)acetic acid
CID 175075419
2-hydroxy-2,3-diphenyloctadecanoic acid
CID 70385778
2,2-dimethyl-3-phenylheptanal
CID 174996144
4-methyl-3-(4-phenylphenoxy)octan-2-one
CID 67564259
(2-methyl-3-phenylheptan-2-yl) N-aminocarbamate
CID 174809384
ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822
phenyl 2-ethyl-2,3-diphenylhexanoate
CID 175011025
(2R)-2-[(S)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-N-methyl-N-phenylhexanamide
CID 53488220
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
2,3-diethyl-2-phenyloctanoic acid
CID 175036838
1-hexan-2-yl-4-phenylbenzene
CID 57161678

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid?
The IUPAC name of (2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid (CID 160854922) is (2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid.
What is the SMILES notation for (2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid?
The canonical SMILES for (2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid is CCCCC(c1ccccc1)[C@](C(=O)O)(c1ccc(-c2ccccc2)cc1)N(C)O[SiH3].
What is the InChIKey of (2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid?
The InChIKey is SJSVSSXOQKRMHM-JKGBFCRXSA-N. The full InChI is InChI=1S/C26H31NO3Si/c1-3-4-15-24(22-13-9-6-10-14-22)26(25(28)29,27(2)30-31)23-18-16-21(17-19-23)20-11-7-5-8-12-20/h5-14,16-19,24H,3-4,15H2,1-2,31H3,(H,28,29)/t24?,26-/m0/s1.
What are the key properties of (2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid?
(2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid has a molecular weight of 433.62 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl(silyloxy)amino]-3-phenyl-2-(4-phenylphenyl)heptanoic acid is sourced from PubChem (CID 160854922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).